N-(1-Cyano-1-methylpropyl)benzamide
TL;DR: N-(1-Cyano-1-methylpropyl)benzamide (CAS 39149-36-5) is a chemical compound with molecular formula C12H14N2O and molecular weight 202.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-cyanobutan-2-yl)benzamide
Also Known As: N-(1-Cyano-1-methylpropyl)benzamide, N-(2-cyanobutan-2-yl)benzamide, 2-Benzamino-2-methylbutyronitrile, N-(1-Cyano-1-methylpropyl)benzamide #
| Molecular Formula | C12H14N2O |
|---|---|
| Molecular Weight | 202.11 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 202.11061 |
| Heavy Atoms | 15 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 39149-36-5 |
|---|---|
| SMILES | CCC(C)(C#N)NC(=O)C1=CC=CC=C1 |
| InChIKey | XQDKNFBSPFTZJL-UHFFFAOYSA-N |
Product Overview
N-(1-Cyano-1-methylpropyl)benzamide (CAS 39149-36-5), with molecular formula C12H14N2O and molecular weight 202.11 g/mol. IUPAC: N-(2-cyanobutan-2-yl)benzamide.
Chemical Property Profile of N-(1-Cyano-1-methylpropyl)benzamide
Property Insights of N-(1-Cyano-1-methylpropyl)benzamide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1-Cyano-1-methylpropyl)benzamide. With a topological polar surface area (TPSA) of 52.9 Ų, N-(1-Cyano-1-methylpropyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1-Cyano-1-methylpropyl)benzamide 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
Frequently Asked Questions
What is the CAS number of N-(1-Cyano-1-methylpropyl)benzamide?
The CAS number of N-(1-Cyano-1-methylpropyl)benzamide is 39149-36-5.
What is the molecular formula of N-(1-Cyano-1-methylpropyl)benzamide?
The molecular formula of N-(1-Cyano-1-methylpropyl)benzamide is C12H14N2O.
What is the molecular weight of N-(1-Cyano-1-methylpropyl)benzamide?
The molecular weight of N-(1-Cyano-1-methylpropyl)benzamide is 202.11 g/mol.
Where can I buy N-(1-Cyano-1-methylpropyl)benzamide?
You can request a quote for N-(1-Cyano-1-methylpropyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-Cyano-1-methylpropyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-Cyano-1-methylpropyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.