N-(3-((2-cyanoethyl)allylamino)-4-methoxyphenyl)acetamide
TL;DR: N-(3-((2-cyanoethyl)allylamino)-4-methoxyphenyl)acetamide (CAS 64611-87-6) is a chemical compound with molecular formula C15H19N3O2 and molecular weight 273.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[2-cyanoethyl(prop-2-enyl)amino]-4-methoxyphenyl]acetamide
Also Known As: 3-((beta-Cyanoethyl)allylamino)-4-methoxyacetanilide, N-[3-[(2-CYANOETHYL)ALLYLAMINO]-4-METHOXYPHENYL]ACETAMIDE, N-(3-((2-Cyanoethyl)allylamino)-4-methoxyphenyl)acetamide, Acetamide, N-(3-((2-cyanoethyl)-2-propenylamino)-4-methoxyphenyl)-, Acetamide, N-(3-((2-cyanoethyl)-2-propen-1-ylamino)-4-methoxyphenyl)-
| Molecular Formula | C15H19N3O2 |
|---|---|
| Molecular Weight | 273.15 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 65.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 273.14774 |
| Heavy Atoms | 20 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 64611-87-6 |
|---|---|
| SMILES | CC(=O)NC1=CC(=C(C=C1)OC)N(CCC#N)CC=C |
| InChIKey | KMMWJCUYQJFHNH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(3-((2-cyanoethyl)allylamino)-4-methoxyphenyl)acetamide (CAS 64611-87-6), with molecular formula C15H19N3O2 and molecular weight 273.15 g/mol. IUPAC: N-[3-[2-cyanoethyl(prop-2-enyl)amino]-4-methoxyphenyl]acetamide.
Chemical Property Profile of N-(3-((2-cyanoethyl)allylamino)-4-methoxyphenyl)acetamide
Property Insights of N-(3-((2-cyanoethyl)allylamino)-4-methoxyphenyl)acetamide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-((2-cyanoethyl)allylamino)-4-methoxyphenyl)acetamide. The TPSA of 65.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-((2-cyanoethyl)allylamino)-4-methoxyphenyl)acetamide. Following Lipinski's Rule of Five, N-(3-((2-cyanoethyl)allylamino)-4-methoxyphenyl)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 N-(3-((2-cyanoethyl)allylamino)-4-methoxyphenyl)acetamide?
The CAS number of N-(3-((2-cyanoethyl)allylamino)-4-methoxyphenyl)acetamide is 64611-87-6.
What is the molecular formula of N-(3-((2-cyanoethyl)allylamino)-4-methoxyphenyl)acetamide?
The molecular formula of N-(3-((2-cyanoethyl)allylamino)-4-methoxyphenyl)acetamide is C15H19N3O2.
What is the molecular weight of N-(3-((2-cyanoethyl)allylamino)-4-methoxyphenyl)acetamide?
The molecular weight of N-(3-((2-cyanoethyl)allylamino)-4-methoxyphenyl)acetamide is 273.15 g/mol.
Where can I buy N-(3-((2-cyanoethyl)allylamino)-4-methoxyphenyl)acetamide?
You can request a quote for N-(3-((2-cyanoethyl)allylamino)-4-methoxyphenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-((2-cyanoethyl)allylamino)-4-methoxyphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-((2-cyanoethyl)allylamino)-4-methoxyphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.