3-(isobutyrylamino)-N-(2-methoxy-4-nitrophenyl)benzamide
TL;DR: 3-(isobutyrylamino)-N-(2-methoxy-4-nitrophenyl)benzamide (CAS 599190-38-2) is a chemical compound with molecular formula C18H19N3O5 and molecular weight 357.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methoxy-4-nitrophenyl)-3-(2-methylpropanoylamino)benzamide
Also Known As: 3-(isobutyrylamino)-N-(2-methoxy-4-nitrophenyl)benzamide, N-(2-methoxy-4-nitrophenyl)-3-(2-methylpropanoylamino)benzamide, N-(2-methoxy-4-nitrophenyl)-3-[(2-methylpropanoyl)amino]benzamide, N-{3-[N-(2-methoxy-4-nitrophenyl)carbamoyl]phenyl}-2-methylpropanamide
| Molecular Formula | C18H19N3O5 |
|---|---|
| Molecular Weight | 357.13 g/mol |
| LogP | 3.4502 |
| Topological Polar Surface Area | 110.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 357.13248 |
| Heavy Atoms | 26 |
| Complexity | 848.4703 |
Chemical Identifiers
| CAS Number | 599190-38-2 |
|---|---|
| SMILES | CC(C)C(=O)NC1=CC=CC(=C1)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC |
Product Overview
3-(isobutyrylamino)-N-(2-methoxy-4-nitrophenyl)benzamide (CAS 599190-38-2), with molecular formula C18H19N3O5 and molecular weight 357.13 g/mol. IUPAC: N-(2-methoxy-4-nitrophenyl)-3-(2-methylpropanoylamino)benzamide.
Chemical Property Profile of 3-(isobutyrylamino)-N-(2-methoxy-4-nitrophenyl)benzamide
Property Insights of 3-(isobutyrylamino)-N-(2-methoxy-4-nitrophenyl)benzamide
The XLogP value of 3.4502 indicates that 3-(isobutyrylamino)-N-(2-methoxy-4-nitrophenyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(isobutyrylamino)-N-(2-methoxy-4-nitrophenyl)benzamide. Following Lipinski's Rule of Five, 3-(isobutyrylamino)-N-(2-methoxy-4-nitrophenyl)benzamide has 2 hydrogen bond donor(s) and 5 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 3-(isobutyrylamino)-N-(2-methoxy-4-nitrophenyl)benzamide?
The CAS number of 3-(isobutyrylamino)-N-(2-methoxy-4-nitrophenyl)benzamide is 599190-38-2.
What is the molecular formula of 3-(isobutyrylamino)-N-(2-methoxy-4-nitrophenyl)benzamide?
The molecular formula of 3-(isobutyrylamino)-N-(2-methoxy-4-nitrophenyl)benzamide is C18H19N3O5.
What is the molecular weight of 3-(isobutyrylamino)-N-(2-methoxy-4-nitrophenyl)benzamide?
The molecular weight of 3-(isobutyrylamino)-N-(2-methoxy-4-nitrophenyl)benzamide is 357.13 g/mol.
Where can I buy 3-(isobutyrylamino)-N-(2-methoxy-4-nitrophenyl)benzamide?
You can request a quote for 3-(isobutyrylamino)-N-(2-methoxy-4-nitrophenyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(isobutyrylamino)-N-(2-methoxy-4-nitrophenyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(isobutyrylamino)-N-(2-methoxy-4-nitrophenyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.