3-methyl-N-(4-methylphenyl)butanamide
TL;DR: 3-methyl-N-(4-methylphenyl)butanamide (CAS 6876-50-2) 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.
3-methyl-N-(4-methylphenyl)butanamide
Also Known As: p-Isovalerotoluidide, 3-methyl-N-(4-methylphenyl)butanamide, isovaleric acid p-toluidide, AB01326925-02
| Molecular Formula | C12H17NO |
|---|---|
| Molecular Weight | 191.13 g/mol |
| LogP | 2.9 |
| 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 | 181.0 |
Chemical Identifiers
| CAS Number | 6876-50-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)CC(C)C |
| InChIKey | KMGUTHKHSSVKDE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-methyl-N-(4-methylphenyl)butanamide (CAS 6876-50-2), with molecular formula C12H17NO and molecular weight 191.13 g/mol. IUPAC: 3-methyl-N-(4-methylphenyl)butanamide.
Chemical Property Profile of 3-methyl-N-(4-methylphenyl)butanamide
Property Insights of 3-methyl-N-(4-methylphenyl)butanamide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-N-(4-methylphenyl)butanamide. With a topological polar surface area (TPSA) of 29.1 Ų, 3-methyl-N-(4-methylphenyl)butanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methyl-N-(4-methylphenyl)butanamide 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 3-methyl-N-(4-methylphenyl)butanamide?
The CAS number of 3-methyl-N-(4-methylphenyl)butanamide is 6876-50-2.
What is the molecular formula of 3-methyl-N-(4-methylphenyl)butanamide?
The molecular formula of 3-methyl-N-(4-methylphenyl)butanamide is C12H17NO.
What is the molecular weight of 3-methyl-N-(4-methylphenyl)butanamide?
The molecular weight of 3-methyl-N-(4-methylphenyl)butanamide is 191.13 g/mol.
Where can I buy 3-methyl-N-(4-methylphenyl)butanamide?
You can request a quote for 3-methyl-N-(4-methylphenyl)butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-N-(4-methylphenyl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-N-(4-methylphenyl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.