![N-[(E)-1-[(isopropylamino)carbonyl]-2-(3-nitrophenyl)ethenyl]-4-methylbenzamide structure](/static/products/116/1164516-76-0.png)
N-[(E)-1-[(isopropylamino)carbonyl]-2-(3-nitrophenyl)ethenyl]-4-methylbenzamide
TL;DR: N-[(E)-1-[(isopropylamino)carbonyl]-2-(3-nitrophenyl)ethenyl]-4-methylbenzamide (CAS 1164516-76-0) is a chemical compound with molecular formula C20H21N3O4 and molecular weight 367.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-N-[(E)-1-(3-nitrophenyl)-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide
Also Known As: AE-641/09782041, 4-methyl-N-[(E)-1-(3-nitrophenyl)-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide, N-[(E)-1-[(isopropylamino)carbonyl]-2-(3-nitrophenyl)ethenyl]-4-methylbenzamide, (2E)-2-[(4-methylphenyl)formamido]-3-(3-nitrophenyl)-N-(propan-2-yl)prop-2-enamide, (E)-N-(3-(isopropylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl)-4-methylbenzamide
| Molecular Formula | C20H21N3O4 |
|---|---|
| Molecular Weight | 367.15 g/mol |
| LogP | 3.19872 |
| Topological Polar Surface Area | 101.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 367.1532 |
| Heavy Atoms | 27 |
| Complexity | 886.35474 |
Chemical Identifiers
| CAS Number | 1164516-76-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC(=CC=C2)[N+](=O)[O-])/C(=O)NC(C)C |
Product Overview
N-[(E)-1-[(isopropylamino)carbonyl]-2-(3-nitrophenyl)ethenyl]-4-methylbenzamide (CAS 1164516-76-0), with molecular formula C20H21N3O4 and molecular weight 367.15 g/mol. IUPAC: 4-methyl-N-[(E)-1-(3-nitrophenyl)-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide.
Chemical Property Profile of N-[(E)-1-[(isopropylamino)carbonyl]-2-(3-nitrophenyl)ethenyl]-4-methylbenzamide
Property Insights of N-[(E)-1-[(isopropylamino)carbonyl]-2-(3-nitrophenyl)ethenyl]-4-methylbenzamide
The XLogP value of 3.19872 indicates that N-[(E)-1-[(isopropylamino)carbonyl]-2-(3-nitrophenyl)ethenyl]-4-methylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.34 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(E)-1-[(isopropylamino)carbonyl]-2-(3-nitrophenyl)ethenyl]-4-methylbenzamide. Following Lipinski's Rule of Five, N-[(E)-1-[(isopropylamino)carbonyl]-2-(3-nitrophenyl)ethenyl]-4-methylbenzamide has 2 hydrogen bond donor(s) and 4 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-[(E)-1-[(isopropylamino)carbonyl]-2-(3-nitrophenyl)ethenyl]-4-methylbenzamide?
The CAS number of N-[(E)-1-[(isopropylamino)carbonyl]-2-(3-nitrophenyl)ethenyl]-4-methylbenzamide is 1164516-76-0.
What is the molecular formula of N-[(E)-1-[(isopropylamino)carbonyl]-2-(3-nitrophenyl)ethenyl]-4-methylbenzamide?
The molecular formula of N-[(E)-1-[(isopropylamino)carbonyl]-2-(3-nitrophenyl)ethenyl]-4-methylbenzamide is C20H21N3O4.
What is the molecular weight of N-[(E)-1-[(isopropylamino)carbonyl]-2-(3-nitrophenyl)ethenyl]-4-methylbenzamide?
The molecular weight of N-[(E)-1-[(isopropylamino)carbonyl]-2-(3-nitrophenyl)ethenyl]-4-methylbenzamide is 367.15 g/mol.
Where can I buy N-[(E)-1-[(isopropylamino)carbonyl]-2-(3-nitrophenyl)ethenyl]-4-methylbenzamide?
You can request a quote for N-[(E)-1-[(isopropylamino)carbonyl]-2-(3-nitrophenyl)ethenyl]-4-methylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(E)-1-[(isopropylamino)carbonyl]-2-(3-nitrophenyl)ethenyl]-4-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(E)-1-[(isopropylamino)carbonyl]-2-(3-nitrophenyl)ethenyl]-4-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.