N-(1-((2-hydroxyethyl)amino)-3-methyl-1-oxobut-2-en-2-yl)benzamide
TL;DR: N-(1-((2-hydroxyethyl)amino)-3-methyl-1-oxobut-2-en-2-yl)benzamide (CAS 331259-38-2) is a chemical compound with molecular formula C14H18N2O3 and molecular weight 262.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-(2-hydroxyethylamino)-3-methyl-1-oxobut-2-en-2-yl]benzamide
Also Known As: BAS 00363394, AB00087195-01, N-[1-(2-Hydroxy-ethylcarbamoyl)-2-methyl-propenyl]-benzamide, N-[1-(2-hydroxyethylamino)-3-methyl-1-oxobut-2-en-2-yl]benzamide, N-(1-((2-hydroxyethyl)amino)-3-methyl-1-oxobut-2-en-2-yl)benzamide
| Molecular Formula | C14H18N2O3 |
|---|---|
| Molecular Weight | 262.13 g/mol |
| LogP | 0.8188 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 262.13174 |
| Heavy Atoms | 19 |
| Complexity | 476.72427 |
Chemical Identifiers
| CAS Number | 331259-38-2 |
|---|---|
| SMILES | CC(=C(C(=O)NCCO)NC(=O)C1=CC=CC=C1)C |
Product Overview
N-(1-((2-hydroxyethyl)amino)-3-methyl-1-oxobut-2-en-2-yl)benzamide (CAS 331259-38-2), with molecular formula C14H18N2O3 and molecular weight 262.13 g/mol. IUPAC: N-[1-(2-hydroxyethylamino)-3-methyl-1-oxobut-2-en-2-yl]benzamide.
Chemical Property Profile of N-(1-((2-hydroxyethyl)amino)-3-methyl-1-oxobut-2-en-2-yl)benzamide
Property Insights of N-(1-((2-hydroxyethyl)amino)-3-methyl-1-oxobut-2-en-2-yl)benzamide
The XLogP value of 0.8188 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1-((2-hydroxyethyl)amino)-3-methyl-1-oxobut-2-en-2-yl)benzamide. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-((2-hydroxyethyl)amino)-3-methyl-1-oxobut-2-en-2-yl)benzamide. Following Lipinski's Rule of Five, N-(1-((2-hydroxyethyl)amino)-3-methyl-1-oxobut-2-en-2-yl)benzamide 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 N-(1-((2-hydroxyethyl)amino)-3-methyl-1-oxobut-2-en-2-yl)benzamide?
The CAS number of N-(1-((2-hydroxyethyl)amino)-3-methyl-1-oxobut-2-en-2-yl)benzamide is 331259-38-2.
What is the molecular formula of N-(1-((2-hydroxyethyl)amino)-3-methyl-1-oxobut-2-en-2-yl)benzamide?
The molecular formula of N-(1-((2-hydroxyethyl)amino)-3-methyl-1-oxobut-2-en-2-yl)benzamide is C14H18N2O3.
What is the molecular weight of N-(1-((2-hydroxyethyl)amino)-3-methyl-1-oxobut-2-en-2-yl)benzamide?
The molecular weight of N-(1-((2-hydroxyethyl)amino)-3-methyl-1-oxobut-2-en-2-yl)benzamide is 262.13 g/mol.
Where can I buy N-(1-((2-hydroxyethyl)amino)-3-methyl-1-oxobut-2-en-2-yl)benzamide?
You can request a quote for N-(1-((2-hydroxyethyl)amino)-3-methyl-1-oxobut-2-en-2-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-((2-hydroxyethyl)amino)-3-methyl-1-oxobut-2-en-2-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-((2-hydroxyethyl)amino)-3-methyl-1-oxobut-2-en-2-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.