N1-(3,4-dimethoxyphenethyl)-2-(4-nitrophenyl)acetamide
TL;DR: N1-(3,4-dimethoxyphenethyl)-2-(4-nitrophenyl)acetamide (CAS 3318-78-3) is a chemical compound with molecular formula C18H20N2O5 and molecular weight 344.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-nitrophenyl)acetamide
Also Known As: N1-(3,4-dimethoxyphenethyl)-2-(4-nitrophenyl)acetamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-nitrophenyl)acetamide, Benzeneacetamide,n-[2-(3,4-dimethoxyphenyl)ethyl]-4-nitro-, RefChem:365080
| Molecular Formula | C18H20N2O5 |
|---|---|
| Molecular Weight | 344.14 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 93.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 344.1372 |
| Heavy Atoms | 25 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 3318-78-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)CC2=CC=C(C=C2)[N+](=O)[O-])OC |
| InChIKey | QGYYUOYOWZSANS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N1-(3,4-dimethoxyphenethyl)-2-(4-nitrophenyl)acetamide (CAS 3318-78-3), with molecular formula C18H20N2O5 and molecular weight 344.14 g/mol. IUPAC: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-nitrophenyl)acetamide.
Chemical Property Profile of N1-(3,4-dimethoxyphenethyl)-2-(4-nitrophenyl)acetamide
Property Insights of N1-(3,4-dimethoxyphenethyl)-2-(4-nitrophenyl)acetamide
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N1-(3,4-dimethoxyphenethyl)-2-(4-nitrophenyl)acetamide. The TPSA of 93.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N1-(3,4-dimethoxyphenethyl)-2-(4-nitrophenyl)acetamide. Following Lipinski's Rule of Five, N1-(3,4-dimethoxyphenethyl)-2-(4-nitrophenyl)acetamide has 1 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 N1-(3,4-dimethoxyphenethyl)-2-(4-nitrophenyl)acetamide?
The CAS number of N1-(3,4-dimethoxyphenethyl)-2-(4-nitrophenyl)acetamide is 3318-78-3.
What is the molecular formula of N1-(3,4-dimethoxyphenethyl)-2-(4-nitrophenyl)acetamide?
The molecular formula of N1-(3,4-dimethoxyphenethyl)-2-(4-nitrophenyl)acetamide is C18H20N2O5.
What is the molecular weight of N1-(3,4-dimethoxyphenethyl)-2-(4-nitrophenyl)acetamide?
The molecular weight of N1-(3,4-dimethoxyphenethyl)-2-(4-nitrophenyl)acetamide is 344.14 g/mol.
Where can I buy N1-(3,4-dimethoxyphenethyl)-2-(4-nitrophenyl)acetamide?
You can request a quote for N1-(3,4-dimethoxyphenethyl)-2-(4-nitrophenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N1-(3,4-dimethoxyphenethyl)-2-(4-nitrophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N1-(3,4-dimethoxyphenethyl)-2-(4-nitrophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.