3-oxo-N-(2-phenylethyl)butanamide
TL;DR: 3-oxo-N-(2-phenylethyl)butanamide (CAS 2044-66-8) is a chemical compound with molecular formula C12H15NO2 and molecular weight 205.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxo-N-(2-phenylethyl)butanamide
Also Known As: 3-oxo-N-(2-phenylethyl)butanamide, 3-oxo-N-phenethylbutanamide, butanamide, 3-oxo-N-(2-phenylethyl)-, N-(2-Phenylethyl)-3-oxobutanamide, 5988AF
| Molecular Formula | C12H15NO2 |
|---|---|
| Molecular Weight | 205.11 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 205.11028 |
| Heavy Atoms | 15 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 2044-66-8 |
|---|---|
| SMILES | CC(=O)CC(=O)NCCC1=CC=CC=C1 |
| InChIKey | XBSYBARUVKLDGG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-oxo-N-(2-phenylethyl)butanamide (CAS 2044-66-8), with molecular formula C12H15NO2 and molecular weight 205.11 g/mol. IUPAC: 3-oxo-N-(2-phenylethyl)butanamide.
Chemical Property Profile of 3-oxo-N-(2-phenylethyl)butanamide
Property Insights of 3-oxo-N-(2-phenylethyl)butanamide
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-oxo-N-(2-phenylethyl)butanamide. With a topological polar surface area (TPSA) of 46.2 Ų, 3-oxo-N-(2-phenylethyl)butanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-oxo-N-(2-phenylethyl)butanamide 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 3-oxo-N-(2-phenylethyl)butanamide?
The CAS number of 3-oxo-N-(2-phenylethyl)butanamide is 2044-66-8.
What is the molecular formula of 3-oxo-N-(2-phenylethyl)butanamide?
The molecular formula of 3-oxo-N-(2-phenylethyl)butanamide is C12H15NO2.
What is the molecular weight of 3-oxo-N-(2-phenylethyl)butanamide?
The molecular weight of 3-oxo-N-(2-phenylethyl)butanamide is 205.11 g/mol.
Where can I buy 3-oxo-N-(2-phenylethyl)butanamide?
You can request a quote for 3-oxo-N-(2-phenylethyl)butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-oxo-N-(2-phenylethyl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-oxo-N-(2-phenylethyl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.