2-Propenamide, 2-methyl-N-(1-methylethyl)-3-(4-nitrophenyl)-
TL;DR: 2-Propenamide, 2-methyl-N-(1-methylethyl)-3-(4-nitrophenyl)- (CAS 80899-87-2) is a chemical compound with molecular formula C13H16N2O3 and molecular weight 248.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-methyl-3-(4-nitrophenyl)-N-propan-2-ylprop-2-enamide
Also Known As: 2-Propenamide, 2-methyl-N-(1-methylethyl)-3-(4-nitrophenyl)-, 2-Methyl-N-(1-methylethyl)-3-(4-nitrophenyl)-2-propenamide, 2-methyl-3-(4-nitrophenyl)-n-(propan-2-yl)prop-2-enamide, 2-methyl-3-(4-nitrophenyl)-N-propan-2-ylprop-2-enamide, (E)-2-methyl-3-(4-nitrophenyl)-N-propan-2-ylprop-2-enamide
| Molecular Formula | C13H16N2O3 |
|---|---|
| Molecular Weight | 248.12 g/mol |
| LogP | 2.5227 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.11609 |
| Heavy Atoms | 18 |
| Complexity | 475.51465 |
Chemical Identifiers
| CAS Number | 80899-87-2 |
|---|---|
| SMILES | CC(C)NC(=O)/C(=C/C1=CC=C(C=C1)[N+](=O)[O-])/C |
Product Overview
2-Propenamide, 2-methyl-N-(1-methylethyl)-3-(4-nitrophenyl)- (CAS 80899-87-2), with molecular formula C13H16N2O3 and molecular weight 248.12 g/mol. IUPAC: (E)-2-methyl-3-(4-nitrophenyl)-N-propan-2-ylprop-2-enamide.
Chemical Property Profile of 2-Propenamide, 2-methyl-N-(1-methylethyl)-3-(4-nitrophenyl)-
Property Insights of 2-Propenamide, 2-methyl-N-(1-methylethyl)-3-(4-nitrophenyl)-
The XLogP value of 2.5227 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenamide, 2-methyl-N-(1-methylethyl)-3-(4-nitrophenyl)-. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenamide, 2-methyl-N-(1-methylethyl)-3-(4-nitrophenyl)-. Following Lipinski's Rule of Five, 2-Propenamide, 2-methyl-N-(1-methylethyl)-3-(4-nitrophenyl)- has 1 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-Propenamide, 2-methyl-N-(1-methylethyl)-3-(4-nitrophenyl)-?
The CAS number of 2-Propenamide, 2-methyl-N-(1-methylethyl)-3-(4-nitrophenyl)- is 80899-87-2.
What is the molecular formula of 2-Propenamide, 2-methyl-N-(1-methylethyl)-3-(4-nitrophenyl)-?
The molecular formula of 2-Propenamide, 2-methyl-N-(1-methylethyl)-3-(4-nitrophenyl)- is C13H16N2O3.
What is the molecular weight of 2-Propenamide, 2-methyl-N-(1-methylethyl)-3-(4-nitrophenyl)-?
The molecular weight of 2-Propenamide, 2-methyl-N-(1-methylethyl)-3-(4-nitrophenyl)- is 248.12 g/mol.
Where can I buy 2-Propenamide, 2-methyl-N-(1-methylethyl)-3-(4-nitrophenyl)-?
You can request a quote for 2-Propenamide, 2-methyl-N-(1-methylethyl)-3-(4-nitrophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenamide, 2-methyl-N-(1-methylethyl)-3-(4-nitrophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenamide, 2-methyl-N-(1-methylethyl)-3-(4-nitrophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.