![N-[3-(4-cyanoanilino)-3-oxopropyl]-3-methylbenzamide structure](/static/products/851/851289-62-8.png)
N-[3-(4-cyanoanilino)-3-oxopropyl]-3-methylbenzamide
TL;DR: N-[3-(4-cyanoanilino)-3-oxopropyl]-3-methylbenzamide (CAS 851289-62-8) is a chemical compound with molecular formula C18H17N3O2 and molecular weight 307.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(4-cyanoanilino)-3-oxopropyl]-3-methylbenzamide
Also Known As: N-[3-(4-cyanoanilino)-3-oxopropyl]-3-methylbenzamide
| Molecular Formula | C18H17N3O2 |
|---|---|
| Molecular Weight | 307.13 g/mol |
| LogP | 2.6253 |
| Topological Polar Surface Area | 81.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 307.13208 |
| Heavy Atoms | 23 |
| Complexity | 745.6072 |
Chemical Identifiers
| CAS Number | 851289-62-8 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)NCCC(=O)NC2=CC=C(C=C2)C#N |
Product Overview
N-[3-(4-cyanoanilino)-3-oxopropyl]-3-methylbenzamide (CAS 851289-62-8), with molecular formula C18H17N3O2 and molecular weight 307.13 g/mol. IUPAC: N-[3-(4-cyanoanilino)-3-oxopropyl]-3-methylbenzamide.
Chemical Property Profile of N-[3-(4-cyanoanilino)-3-oxopropyl]-3-methylbenzamide
Property Insights of N-[3-(4-cyanoanilino)-3-oxopropyl]-3-methylbenzamide
The XLogP value of 2.6253 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[3-(4-cyanoanilino)-3-oxopropyl]-3-methylbenzamide. The TPSA of 81.99 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[3-(4-cyanoanilino)-3-oxopropyl]-3-methylbenzamide. Following Lipinski's Rule of Five, N-[3-(4-cyanoanilino)-3-oxopropyl]-3-methylbenzamide has 2 hydrogen bond donor(s) and 3 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-(4-cyanoanilino)-3-oxopropyl]-3-methylbenzamide?
The CAS number of N-[3-(4-cyanoanilino)-3-oxopropyl]-3-methylbenzamide is 851289-62-8.
What is the molecular formula of N-[3-(4-cyanoanilino)-3-oxopropyl]-3-methylbenzamide?
The molecular formula of N-[3-(4-cyanoanilino)-3-oxopropyl]-3-methylbenzamide is C18H17N3O2.
What is the molecular weight of N-[3-(4-cyanoanilino)-3-oxopropyl]-3-methylbenzamide?
The molecular weight of N-[3-(4-cyanoanilino)-3-oxopropyl]-3-methylbenzamide is 307.13 g/mol.
Where can I buy N-[3-(4-cyanoanilino)-3-oxopropyl]-3-methylbenzamide?
You can request a quote for N-[3-(4-cyanoanilino)-3-oxopropyl]-3-methylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[3-(4-cyanoanilino)-3-oxopropyl]-3-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[3-(4-cyanoanilino)-3-oxopropyl]-3-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.