2-(acetylamino)-N~1~-benzyl-N~3~-(4-isopropylphenyl)malonamide
TL;DR: 2-(acetylamino)-N~1~-benzyl-N~3~-(4-isopropylphenyl)malonamide (CAS 866039-22-7) is a chemical compound with molecular formula C21H25N3O3 and molecular weight 367.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetamido-N-benzyl-N'-(4-propan-2-ylphenyl)propanediamide
Also Known As: 2-acetamido-N-benzyl-N'-(4-propan-2-ylphenyl)propanediamide, 2-(acetylamino)-N~1~-benzyl-N~3~-(4-isopropylphenyl)malonamide, 5R-1550, N'-benzyl-2-acetamido-N-[4-(propan-2-yl)phenyl]propanediamide
| Molecular Formula | C21H25N3O3 |
|---|---|
| Molecular Weight | 367.19 g/mol |
| LogP | 2.5696 |
| Topological Polar Surface Area | 87.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 367.1896 |
| Heavy Atoms | 27 |
| Complexity | 786.0789 |
Chemical Identifiers
| CAS Number | 866039-22-7 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)NC(=O)C(C(=O)NCC2=CC=CC=C2)NC(=O)C |
Product Overview
2-(acetylamino)-N~1~-benzyl-N~3~-(4-isopropylphenyl)malonamide (CAS 866039-22-7), with molecular formula C21H25N3O3 and molecular weight 367.19 g/mol. IUPAC: 2-acetamido-N-benzyl-N'-(4-propan-2-ylphenyl)propanediamide.
Chemical Property Profile of 2-(acetylamino)-N~1~-benzyl-N~3~-(4-isopropylphenyl)malonamide
Property Insights of 2-(acetylamino)-N~1~-benzyl-N~3~-(4-isopropylphenyl)malonamide
The XLogP value of 2.5696 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(acetylamino)-N~1~-benzyl-N~3~-(4-isopropylphenyl)malonamide. The TPSA of 87.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(acetylamino)-N~1~-benzyl-N~3~-(4-isopropylphenyl)malonamide. Following Lipinski's Rule of Five, 2-(acetylamino)-N~1~-benzyl-N~3~-(4-isopropylphenyl)malonamide 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-(acetylamino)-N~1~-benzyl-N~3~-(4-isopropylphenyl)malonamide?
The CAS number of 2-(acetylamino)-N~1~-benzyl-N~3~-(4-isopropylphenyl)malonamide is 866039-22-7.
What is the molecular formula of 2-(acetylamino)-N~1~-benzyl-N~3~-(4-isopropylphenyl)malonamide?
The molecular formula of 2-(acetylamino)-N~1~-benzyl-N~3~-(4-isopropylphenyl)malonamide is C21H25N3O3.
What is the molecular weight of 2-(acetylamino)-N~1~-benzyl-N~3~-(4-isopropylphenyl)malonamide?
The molecular weight of 2-(acetylamino)-N~1~-benzyl-N~3~-(4-isopropylphenyl)malonamide is 367.19 g/mol.
Where can I buy 2-(acetylamino)-N~1~-benzyl-N~3~-(4-isopropylphenyl)malonamide?
You can request a quote for 2-(acetylamino)-N~1~-benzyl-N~3~-(4-isopropylphenyl)malonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(acetylamino)-N~1~-benzyl-N~3~-(4-isopropylphenyl)malonamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(acetylamino)-N~1~-benzyl-N~3~-(4-isopropylphenyl)malonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.