N-butyl-3-methylbenzamide
TL;DR: N-butyl-3-methylbenzamide (CAS 349403-62-9) 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-butyl-3-methylbenzamide
Also Known As: N-butyl-3-methylbenzamide, Benzamide,N-butyl-3-methyl, Benzamide, 3-methyl-N-butyl-, Benzamide, N-butyl-3-methyl-, J1.583.766G
| Molecular Formula | C12H17NO |
|---|---|
| Molecular Weight | 191.13 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 191.13101 |
| Heavy Atoms | 14 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 349403-62-9 |
|---|---|
| SMILES | CCCCNC(=O)C1=CC=CC(=C1)C |
| InChIKey | NXDWJMPJVGIQBB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-butyl-3-methylbenzamide (CAS 349403-62-9), with molecular formula C12H17NO and molecular weight 191.13 g/mol. IUPAC: N-butyl-3-methylbenzamide.
Chemical Property Profile of N-butyl-3-methylbenzamide
Property Insights of N-butyl-3-methylbenzamide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-butyl-3-methylbenzamide. With a topological polar surface area (TPSA) of 29.1 Ų, N-butyl-3-methylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-butyl-3-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-butyl-3-methylbenzamide?
The CAS number of N-butyl-3-methylbenzamide is 349403-62-9.
What is the molecular formula of N-butyl-3-methylbenzamide?
The molecular formula of N-butyl-3-methylbenzamide is C12H17NO.
What is the molecular weight of N-butyl-3-methylbenzamide?
The molecular weight of N-butyl-3-methylbenzamide is 191.13 g/mol.
Where can I buy N-butyl-3-methylbenzamide?
You can request a quote for N-butyl-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-butyl-3-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-butyl-3-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.