2-methyl-3-(4-nitrophenyl)-N-propan-2-ylprop-2-enamide
TL;DR: 2-methyl-3-(4-nitrophenyl)-N-propan-2-ylprop-2-enamide (CAS 76691-34-4) 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.
2-methyl-3-(4-nitrophenyl)-N-propan-2-ylprop-2-enamide
Also Known As: 2-methyl-3-(4-nitrophenyl)-N-propan-2-ylprop-2-enamide, 2-Methyl-N-(1-methylethyl)-3-(4-nitrophenyl)-2-propenamide, 2-Propenamide, 2-methyl-N-(1-methylethyl)-3-(4-nitrophenyl)-
| Molecular Formula | C13H16N2O3 |
|---|---|
| Molecular Weight | 248.12 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.11609 |
| Heavy Atoms | 18 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 76691-34-4 |
|---|---|
| SMILES | CC(C)NC(=O)C(=CC1=CC=C(C=C1)[N+](=O)[O-])C |
| InChIKey | ZFSNVNMQEYBVDO-UHFFFAOYSA-N |
Product Overview
2-methyl-3-(4-nitrophenyl)-N-propan-2-ylprop-2-enamide (CAS 76691-34-4), with molecular formula C13H16N2O3 and molecular weight 248.12 g/mol. IUPAC: 2-methyl-3-(4-nitrophenyl)-N-propan-2-ylprop-2-enamide.
Chemical Property Profile of 2-methyl-3-(4-nitrophenyl)-N-propan-2-ylprop-2-enamide
Property Insights of 2-methyl-3-(4-nitrophenyl)-N-propan-2-ylprop-2-enamide
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methyl-3-(4-nitrophenyl)-N-propan-2-ylprop-2-enamide. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methyl-3-(4-nitrophenyl)-N-propan-2-ylprop-2-enamide. Following Lipinski's Rule of Five, 2-methyl-3-(4-nitrophenyl)-N-propan-2-ylprop-2-enamide 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-methyl-3-(4-nitrophenyl)-N-propan-2-ylprop-2-enamide?
The CAS number of 2-methyl-3-(4-nitrophenyl)-N-propan-2-ylprop-2-enamide is 76691-34-4.
What is the molecular formula of 2-methyl-3-(4-nitrophenyl)-N-propan-2-ylprop-2-enamide?
The molecular formula of 2-methyl-3-(4-nitrophenyl)-N-propan-2-ylprop-2-enamide is C13H16N2O3.
What is the molecular weight of 2-methyl-3-(4-nitrophenyl)-N-propan-2-ylprop-2-enamide?
The molecular weight of 2-methyl-3-(4-nitrophenyl)-N-propan-2-ylprop-2-enamide is 248.12 g/mol.
Where can I buy 2-methyl-3-(4-nitrophenyl)-N-propan-2-ylprop-2-enamide?
You can request a quote for 2-methyl-3-(4-nitrophenyl)-N-propan-2-ylprop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methyl-3-(4-nitrophenyl)-N-propan-2-ylprop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-3-(4-nitrophenyl)-N-propan-2-ylprop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.