2-Cyano-N-(2-(3,4-dimethoxy-phenyl)-ethyl)-acetamide
TL;DR: 2-Cyano-N-(2-(3,4-dimethoxy-phenyl)-ethyl)-acetamide (CAS 98841-65-7) is a chemical compound with molecular formula C13H16N2O3 and molecular weight 248.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Also Known As: 2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide, cyanoacetic acid homoveratrylamide, 2-cyano-N-(3,4-dimethoxyphenethyl)acetamide, 2-CYANO-N-[2-(3,4-DIMETHOXY-PHENYL)-ETHYL]-ACETAMIDE, Acetamide, 2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-
| Molecular Formula | C13H16N2O3 |
|---|---|
| Molecular Weight | 248.12 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 248.11609 |
| Heavy Atoms | 18 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 98841-65-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)CC#N)OC |
| InChIKey | NMUPQXBMCWDTSX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Cyano-N-(2-(3,4-dimethoxy-phenyl)-ethyl)-acetamide (CAS 98841-65-7), with molecular formula C13H16N2O3 and molecular weight 248.12 g/mol. IUPAC: 2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.
Chemical Property Profile of 2-Cyano-N-(2-(3,4-dimethoxy-phenyl)-ethyl)-acetamide
Property Insights of 2-Cyano-N-(2-(3,4-dimethoxy-phenyl)-ethyl)-acetamide
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyano-N-(2-(3,4-dimethoxy-phenyl)-ethyl)-acetamide. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyano-N-(2-(3,4-dimethoxy-phenyl)-ethyl)-acetamide. Following Lipinski's Rule of Five, 2-Cyano-N-(2-(3,4-dimethoxy-phenyl)-ethyl)-acetamide has 1 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 2-Cyano-N-(2-(3,4-dimethoxy-phenyl)-ethyl)-acetamide?
The CAS number of 2-Cyano-N-(2-(3,4-dimethoxy-phenyl)-ethyl)-acetamide is 98841-65-7.
What is the molecular formula of 2-Cyano-N-(2-(3,4-dimethoxy-phenyl)-ethyl)-acetamide?
The molecular formula of 2-Cyano-N-(2-(3,4-dimethoxy-phenyl)-ethyl)-acetamide is C13H16N2O3.
What is the molecular weight of 2-Cyano-N-(2-(3,4-dimethoxy-phenyl)-ethyl)-acetamide?
The molecular weight of 2-Cyano-N-(2-(3,4-dimethoxy-phenyl)-ethyl)-acetamide is 248.12 g/mol.
Where can I buy 2-Cyano-N-(2-(3,4-dimethoxy-phenyl)-ethyl)-acetamide?
You can request a quote for 2-Cyano-N-(2-(3,4-dimethoxy-phenyl)-ethyl)-acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyano-N-(2-(3,4-dimethoxy-phenyl)-ethyl)-acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyano-N-(2-(3,4-dimethoxy-phenyl)-ethyl)-acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.