N-benzyl-4-methoxy-N-methyl-3-nitrobenzamide
TL;DR: N-benzyl-4-methoxy-N-methyl-3-nitrobenzamide (CAS 333350-58-6) is a chemical compound with molecular formula C16H16N2O4 and molecular weight 300.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-4-methoxy-N-methyl-3-nitrobenzamide
Also Known As: N-benzyl-4-methoxy-N-methyl-3-nitrobenzamide, (4-methoxy-3-nitrophenyl)-N-methyl-N-benzylcarboxamide
| Molecular Formula | C16H16N2O4 |
|---|---|
| Molecular Weight | 300.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 75.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.111 |
| Heavy Atoms | 22 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 333350-58-6 |
|---|---|
| SMILES | CN(CC1=CC=CC=C1)C(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-] |
| InChIKey | XBHYSJAMJQTENK-UHFFFAOYSA-N |
Product Overview
N-benzyl-4-methoxy-N-methyl-3-nitrobenzamide (CAS 333350-58-6), with molecular formula C16H16N2O4 and molecular weight 300.11 g/mol. IUPAC: N-benzyl-4-methoxy-N-methyl-3-nitrobenzamide.
Chemical Property Profile of N-benzyl-4-methoxy-N-methyl-3-nitrobenzamide
Property Insights of N-benzyl-4-methoxy-N-methyl-3-nitrobenzamide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-4-methoxy-N-methyl-3-nitrobenzamide. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-4-methoxy-N-methyl-3-nitrobenzamide. Following Lipinski's Rule of Five, N-benzyl-4-methoxy-N-methyl-3-nitrobenzamide has 0 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-benzyl-4-methoxy-N-methyl-3-nitrobenzamide?
The CAS number of N-benzyl-4-methoxy-N-methyl-3-nitrobenzamide is 333350-58-6.
What is the molecular formula of N-benzyl-4-methoxy-N-methyl-3-nitrobenzamide?
The molecular formula of N-benzyl-4-methoxy-N-methyl-3-nitrobenzamide is C16H16N2O4.
What is the molecular weight of N-benzyl-4-methoxy-N-methyl-3-nitrobenzamide?
The molecular weight of N-benzyl-4-methoxy-N-methyl-3-nitrobenzamide is 300.11 g/mol.
Where can I buy N-benzyl-4-methoxy-N-methyl-3-nitrobenzamide?
You can request a quote for N-benzyl-4-methoxy-N-methyl-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-4-methoxy-N-methyl-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-4-methoxy-N-methyl-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.