N-(cyanomethyl)-3-phenylpropanamide
TL;DR: N-(cyanomethyl)-3-phenylpropanamide (CAS 129977-03-3) is a chemical compound with molecular formula C11H12N2O and molecular weight 188.09496 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(cyanomethyl)-3-phenylpropanamide
Also Known As: N-(cyanomethyl)-3-phenylpropanamide, N-(cyanomethyl)-3-phenyl-propanamide, G39642
Technical Specifications
| Molecular Formula | C11H12N2O |
| Molecular Weight | 188.09496 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 188.09496 Da |
| Heavy Atoms | 14 |
| Complexity | 223.0 |
| SMILES | C1=CC=C(C=C1)CCC(=O)NCC#N |
| InChIKey | YVSSMNHYISAVIW-UHFFFAOYSA-N |
Chemical Property Profile of N-(cyanomethyl)-3-phenylpropanamide
Property Insights of N-(cyanomethyl)-3-phenylpropanamide
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(cyanomethyl)-3-phenylpropanamide. With a topological polar surface area (TPSA) of 52.9 Ų, N-(cyanomethyl)-3-phenylpropanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(cyanomethyl)-3-phenylpropanamide has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(cyanomethyl)-3-phenylpropanamide?
The CAS number of N-(cyanomethyl)-3-phenylpropanamide is 129977-03-3.
What is the molecular formula of N-(cyanomethyl)-3-phenylpropanamide?
The molecular formula of N-(cyanomethyl)-3-phenylpropanamide is C11H12N2O.
What is the molecular weight of N-(cyanomethyl)-3-phenylpropanamide?
The molecular weight of N-(cyanomethyl)-3-phenylpropanamide is 188.09496 g/mol.
Where can I buy N-(cyanomethyl)-3-phenylpropanamide?
You can request a quote for N-(cyanomethyl)-3-phenylpropanamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(cyanomethyl)-3-phenylpropanamide?
Yes, CoreyChem provides custom synthesis services for N-(cyanomethyl)-3-phenylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.