![3,4-dimethoxy-N-{2-[(4-nitrophenyl)amino]ethyl}benzamide structure](/static/products/6121/6121-59-1.webp)
3,4-dimethoxy-N-{2-[(4-nitrophenyl)amino]ethyl}benzamide
TL;DR: 3,4-dimethoxy-N-{2-[(4-nitrophenyl)amino]ethyl}benzamide (CAS 6121-59-1) is a chemical compound with molecular formula C17H19N3O5 and molecular weight 345.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethoxy-N-[2-(4-nitroanilino)ethyl]benzamide
Also Known As: 3,4-dimethoxy-N-{2-[(4-nitrophenyl)amino]ethyl}benzamide, 3,4-dimethoxy-N-[2-(4-nitroanilino)ethyl]benzamide, (3,4-dimethoxyphenyl)-N-{2-[(4-nitrophenyl)amino]ethyl}carboxamide, RefChem:382240, Cambridge id 6121591
| Molecular Formula | C17H19N3O5 |
|---|---|
| Molecular Weight | 345.13 g/mol |
| LogP | 2.4539 |
| Topological Polar Surface Area | 102.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 345.13248 |
| Heavy Atoms | 25 |
| Complexity | 746.4486 |
Chemical Identifiers
| CAS Number | 6121-59-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-])OC |
Product Overview
3,4-dimethoxy-N-{2-[(4-nitrophenyl)amino]ethyl}benzamide (CAS 6121-59-1), with molecular formula C17H19N3O5 and molecular weight 345.13 g/mol. IUPAC: 3,4-dimethoxy-N-[2-(4-nitroanilino)ethyl]benzamide.
Chemical Property Profile of 3,4-dimethoxy-N-{2-[(4-nitrophenyl)amino]ethyl}benzamide
Property Insights of 3,4-dimethoxy-N-{2-[(4-nitrophenyl)amino]ethyl}benzamide
The XLogP value of 2.4539 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-dimethoxy-N-{2-[(4-nitrophenyl)amino]ethyl}benzamide. The TPSA of 102.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-dimethoxy-N-{2-[(4-nitrophenyl)amino]ethyl}benzamide. Following Lipinski's Rule of Five, 3,4-dimethoxy-N-{2-[(4-nitrophenyl)amino]ethyl}benzamide has 2 hydrogen bond donor(s) and 6 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 3,4-dimethoxy-N-{2-[(4-nitrophenyl)amino]ethyl}benzamide?
The CAS number of 3,4-dimethoxy-N-{2-[(4-nitrophenyl)amino]ethyl}benzamide is 6121-59-1.
What is the molecular formula of 3,4-dimethoxy-N-{2-[(4-nitrophenyl)amino]ethyl}benzamide?
The molecular formula of 3,4-dimethoxy-N-{2-[(4-nitrophenyl)amino]ethyl}benzamide is C17H19N3O5.
What is the molecular weight of 3,4-dimethoxy-N-{2-[(4-nitrophenyl)amino]ethyl}benzamide?
The molecular weight of 3,4-dimethoxy-N-{2-[(4-nitrophenyl)amino]ethyl}benzamide is 345.13 g/mol.
Where can I buy 3,4-dimethoxy-N-{2-[(4-nitrophenyl)amino]ethyl}benzamide?
You can request a quote for 3,4-dimethoxy-N-{2-[(4-nitrophenyl)amino]ethyl}benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-dimethoxy-N-{2-[(4-nitrophenyl)amino]ethyl}benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dimethoxy-N-{2-[(4-nitrophenyl)amino]ethyl}benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.