N-(sec-butyl)-2-methylbenzamide
TL;DR: N-(sec-butyl)-2-methylbenzamide (CAS 76734-29-7) is a chemical compound with molecular formula C12H17NO and molecular weight 191.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butan-2-yl-2-methylbenzamide
Also Known As: N-(sec-butyl)-2-methylbenzamide, n-(butan-2-yl)-2-methylbenzamide, N-butan-2-yl-2-methylbenzamide, 2-Methyl-N-(1-methylpropyl)benzamide, (2-methylphenyl)-N-(methylpropyl)carboxamide
| Molecular Formula | C12H17NO |
|---|---|
| Molecular Weight | 191.13 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 191.13101 |
| Heavy Atoms | 14 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 76734-29-7 |
|---|---|
| SMILES | CCC(C)NC(=O)C1=CC=CC=C1C |
| InChIKey | JWFUNROPKOHIKJ-UHFFFAOYSA-N |
Product Overview
N-(sec-butyl)-2-methylbenzamide (CAS 76734-29-7), with molecular formula C12H17NO and molecular weight 191.13 g/mol. IUPAC: N-butan-2-yl-2-methylbenzamide.
Chemical Property Profile of N-(sec-butyl)-2-methylbenzamide
Property Insights of N-(sec-butyl)-2-methylbenzamide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(sec-butyl)-2-methylbenzamide. With a topological polar surface area (TPSA) of 29.1 Ų, N-(sec-butyl)-2-methylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(sec-butyl)-2-methylbenzamide has 1 hydrogen bond donor(s) and 1 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-(sec-butyl)-2-methylbenzamide?
The CAS number of N-(sec-butyl)-2-methylbenzamide is 76734-29-7.
What is the molecular formula of N-(sec-butyl)-2-methylbenzamide?
The molecular formula of N-(sec-butyl)-2-methylbenzamide is C12H17NO.
What is the molecular weight of N-(sec-butyl)-2-methylbenzamide?
The molecular weight of N-(sec-butyl)-2-methylbenzamide is 191.13 g/mol.
Where can I buy N-(sec-butyl)-2-methylbenzamide?
You can request a quote for N-(sec-butyl)-2-methylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(sec-butyl)-2-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(sec-butyl)-2-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.