2-Butenamide, 3-methyl-N-(phenylmethyl)-
TL;DR: 2-Butenamide, 3-methyl-N-(phenylmethyl)- (CAS 67264-80-6) is a chemical compound with molecular formula C12H15NO and molecular weight 189.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-3-methylbut-2-enamide
Also Known As: N-benzyl-3-methylbut-2-enamide, 2-Butenamide, 3-methyl-N-(phenylmethyl)-, 3-methyl-N-benzylbut-2-enamide, n-benzyl-3,3-dimethylacrylic amide, N-Benzyl-3-methyl-2-butenamide
| Molecular Formula | C12H15NO |
|---|---|
| Molecular Weight | 189.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 189.11537 |
| Heavy Atoms | 14 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 67264-80-6 |
|---|---|
| SMILES | CC(=CC(=O)NCC1=CC=CC=C1)C |
| InChIKey | KRPRWOXUFAQNOP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Butenamide, 3-methyl-N-(phenylmethyl)- (CAS 67264-80-6), with molecular formula C12H15NO and molecular weight 189.12 g/mol. IUPAC: N-benzyl-3-methylbut-2-enamide.
Chemical Property Profile of 2-Butenamide, 3-methyl-N-(phenylmethyl)-
Property Insights of 2-Butenamide, 3-methyl-N-(phenylmethyl)-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenamide, 3-methyl-N-(phenylmethyl)-. With a topological polar surface area (TPSA) of 29.1 Ų, 2-Butenamide, 3-methyl-N-(phenylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butenamide, 3-methyl-N-(phenylmethyl)- 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 2-Butenamide, 3-methyl-N-(phenylmethyl)-?
The CAS number of 2-Butenamide, 3-methyl-N-(phenylmethyl)- is 67264-80-6.
What is the molecular formula of 2-Butenamide, 3-methyl-N-(phenylmethyl)-?
The molecular formula of 2-Butenamide, 3-methyl-N-(phenylmethyl)- is C12H15NO.
What is the molecular weight of 2-Butenamide, 3-methyl-N-(phenylmethyl)-?
The molecular weight of 2-Butenamide, 3-methyl-N-(phenylmethyl)- is 189.12 g/mol.
Where can I buy 2-Butenamide, 3-methyl-N-(phenylmethyl)-?
You can request a quote for 2-Butenamide, 3-methyl-N-(phenylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butenamide, 3-methyl-N-(phenylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenamide, 3-methyl-N-(phenylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.