![2-{2-[(4-cyanophenyl)amino]-2-oxoethoxy}-N-heptylacetamide structure](/static/products/754/754994-02-0.png)
2-{2-[(4-cyanophenyl)amino]-2-oxoethoxy}-N-heptylacetamide
TL;DR: 2-{2-[(4-cyanophenyl)amino]-2-oxoethoxy}-N-heptylacetamide (CAS 754994-02-0) is a chemical compound with molecular formula C18H25N3O3 and molecular weight 331.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-cyanoanilino)-2-oxoethoxy]-N-heptylacetamide
Also Known As: 2-{2-[(4-cyanophenyl)amino]-2-oxoethoxy}-N-heptylacetamide, 2-[(4-cyanophenyl)carbamoylmethoxy]-N-heptyl-acetamide, 2-[2-(4-cyanoanilino)-2-oxoethoxy]-N-heptylacetamide
| Molecular Formula | C18H25N3O3 |
|---|---|
| Molecular Weight | 331.19 g/mol |
| LogP | 2.59998 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 331.1896 |
| Heavy Atoms | 24 |
| Complexity | 549.62256 |
Chemical Identifiers
| CAS Number | 754994-02-0 |
|---|---|
| SMILES | CCCCCCCNC(=O)COCC(=O)NC1=CC=C(C=C1)C#N |
Product Overview
2-{2-[(4-cyanophenyl)amino]-2-oxoethoxy}-N-heptylacetamide (CAS 754994-02-0), with molecular formula C18H25N3O3 and molecular weight 331.19 g/mol. IUPAC: 2-[2-(4-cyanoanilino)-2-oxoethoxy]-N-heptylacetamide.
Chemical Property Profile of 2-{2-[(4-cyanophenyl)amino]-2-oxoethoxy}-N-heptylacetamide
Property Insights of 2-{2-[(4-cyanophenyl)amino]-2-oxoethoxy}-N-heptylacetamide
The XLogP value of 2.59998 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{2-[(4-cyanophenyl)amino]-2-oxoethoxy}-N-heptylacetamide. The TPSA of 91.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{2-[(4-cyanophenyl)amino]-2-oxoethoxy}-N-heptylacetamide. Following Lipinski's Rule of Five, 2-{2-[(4-cyanophenyl)amino]-2-oxoethoxy}-N-heptylacetamide has 2 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-{2-[(4-cyanophenyl)amino]-2-oxoethoxy}-N-heptylacetamide?
The CAS number of 2-{2-[(4-cyanophenyl)amino]-2-oxoethoxy}-N-heptylacetamide is 754994-02-0.
What is the molecular formula of 2-{2-[(4-cyanophenyl)amino]-2-oxoethoxy}-N-heptylacetamide?
The molecular formula of 2-{2-[(4-cyanophenyl)amino]-2-oxoethoxy}-N-heptylacetamide is C18H25N3O3.
What is the molecular weight of 2-{2-[(4-cyanophenyl)amino]-2-oxoethoxy}-N-heptylacetamide?
The molecular weight of 2-{2-[(4-cyanophenyl)amino]-2-oxoethoxy}-N-heptylacetamide is 331.19 g/mol.
Where can I buy 2-{2-[(4-cyanophenyl)amino]-2-oxoethoxy}-N-heptylacetamide?
You can request a quote for 2-{2-[(4-cyanophenyl)amino]-2-oxoethoxy}-N-heptylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{2-[(4-cyanophenyl)amino]-2-oxoethoxy}-N-heptylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{2-[(4-cyanophenyl)amino]-2-oxoethoxy}-N-heptylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.