2-((1-Methylethyl)amino)-N-(4-(1,2,3,4-tetrahydro-3-oxo-1-isoquinolinyl)phenyl)acetamide
TL;DR: 2-((1-Methylethyl)amino)-N-(4-(1,2,3,4-tetrahydro-3-oxo-1-isoquinolinyl)phenyl)acetamide (CAS 54087-45-5) is a chemical compound with molecular formula C20H23N3O2 and molecular weight 337.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(3-oxo-2,4-dihydro-1H-isoquinolin-1-yl)phenyl]-2-(propan-2-ylamino)acetamide
Also Known As: 2-((1-Methylethyl)amino)-N-(4-(1,2,3,4-tetrahydro-3-oxo-1-isoquinolinyl)phenyl)acetamide, Acetamide, 2-((1-methylethyl)amino)-N-(4-(1,2,3,4-tetrahydro-3-oxo-1-isoquinolinyl)phenyl)-, ACETAMIDE,2-((1-METHYLETHYL)AMINO)-N-(4-(1,2,3,4-TETRAHYDRO-3-OXO-1-ISOQUINOLINYL)PHENYL)-, N-[4-(3-Hydroxy-1,4-dihydroisoquinolin-1-yl)phenyl]-N~2~-(propan-2-yl)glycinamide, N-[4-(3-Hydroxy-1,4-dihydroisoquinolin-1-yl)phenyl]-N~2~-propan-2-ylglycinamide
| Molecular Formula | C20H23N3O2 |
|---|---|
| Molecular Weight | 337.18 g/mol |
| LogP | 2.3848 |
| Topological Polar Surface Area | 70.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 337.17902 |
| Heavy Atoms | 25 |
| Complexity | 768.7657 |
Chemical Identifiers
| CAS Number | 54087-45-5 |
|---|---|
| SMILES | CC(C)NCC(=O)NC1=CC=C(C=C1)C2C3=CC=CC=C3CC(=O)N2 |
Product Overview
2-((1-Methylethyl)amino)-N-(4-(1,2,3,4-tetrahydro-3-oxo-1-isoquinolinyl)phenyl)acetamide (CAS 54087-45-5), with molecular formula C20H23N3O2 and molecular weight 337.18 g/mol. IUPAC: N-[4-(3-oxo-2,4-dihydro-1H-isoquinolin-1-yl)phenyl]-2-(propan-2-ylamino)acetamide.
Chemical Property Profile of 2-((1-Methylethyl)amino)-N-(4-(1,2,3,4-tetrahydro-3-oxo-1-isoquinolinyl)phenyl)acetamide
Property Insights of 2-((1-Methylethyl)amino)-N-(4-(1,2,3,4-tetrahydro-3-oxo-1-isoquinolinyl)phenyl)acetamide
The XLogP value of 2.3848 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((1-Methylethyl)amino)-N-(4-(1,2,3,4-tetrahydro-3-oxo-1-isoquinolinyl)phenyl)acetamide. The TPSA of 70.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((1-Methylethyl)amino)-N-(4-(1,2,3,4-tetrahydro-3-oxo-1-isoquinolinyl)phenyl)acetamide. Following Lipinski's Rule of Five, 2-((1-Methylethyl)amino)-N-(4-(1,2,3,4-tetrahydro-3-oxo-1-isoquinolinyl)phenyl)acetamide has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((1-Methylethyl)amino)-N-(4-(1,2,3,4-tetrahydro-3-oxo-1-isoquinolinyl)phenyl)acetamide?
The CAS number of 2-((1-Methylethyl)amino)-N-(4-(1,2,3,4-tetrahydro-3-oxo-1-isoquinolinyl)phenyl)acetamide is 54087-45-5.
What is the molecular formula of 2-((1-Methylethyl)amino)-N-(4-(1,2,3,4-tetrahydro-3-oxo-1-isoquinolinyl)phenyl)acetamide?
The molecular formula of 2-((1-Methylethyl)amino)-N-(4-(1,2,3,4-tetrahydro-3-oxo-1-isoquinolinyl)phenyl)acetamide is C20H23N3O2.
What is the molecular weight of 2-((1-Methylethyl)amino)-N-(4-(1,2,3,4-tetrahydro-3-oxo-1-isoquinolinyl)phenyl)acetamide?
The molecular weight of 2-((1-Methylethyl)amino)-N-(4-(1,2,3,4-tetrahydro-3-oxo-1-isoquinolinyl)phenyl)acetamide is 337.18 g/mol.
Where can I buy 2-((1-Methylethyl)amino)-N-(4-(1,2,3,4-tetrahydro-3-oxo-1-isoquinolinyl)phenyl)acetamide?
You can request a quote for 2-((1-Methylethyl)amino)-N-(4-(1,2,3,4-tetrahydro-3-oxo-1-isoquinolinyl)phenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((1-Methylethyl)amino)-N-(4-(1,2,3,4-tetrahydro-3-oxo-1-isoquinolinyl)phenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((1-Methylethyl)amino)-N-(4-(1,2,3,4-tetrahydro-3-oxo-1-isoquinolinyl)phenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.