N-Ethyl-N-phenyl-2-butenamide
TL;DR: N-Ethyl-N-phenyl-2-butenamide (CAS 53188-82-2) 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-ethyl-N-phenylbut-2-enamide
Also Known As: N-ethyl-N-phenylbut-2-enamide, N-Ethyl-N-phenyl-2-butenamide, 2-Butenamide,N-ethyl-N-phenyl-
| Molecular Formula | C12H15NO |
|---|---|
| Molecular Weight | 189.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 189.11537 |
| Heavy Atoms | 14 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 53188-82-2 |
|---|---|
| SMILES | CCN(C1=CC=CC=C1)C(=O)C=CC |
| InChIKey | XTBRQTWUCGWBRA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Ethyl-N-phenyl-2-butenamide (CAS 53188-82-2), with molecular formula C12H15NO and molecular weight 189.12 g/mol. IUPAC: N-ethyl-N-phenylbut-2-enamide.
Chemical Property Profile of N-Ethyl-N-phenyl-2-butenamide
Property Insights of N-Ethyl-N-phenyl-2-butenamide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Ethyl-N-phenyl-2-butenamide. With a topological polar surface area (TPSA) of 20.3 Ų, N-Ethyl-N-phenyl-2-butenamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Ethyl-N-phenyl-2-butenamide has 0 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-Ethyl-N-phenyl-2-butenamide?
The CAS number of N-Ethyl-N-phenyl-2-butenamide is 53188-82-2.
What is the molecular formula of N-Ethyl-N-phenyl-2-butenamide?
The molecular formula of N-Ethyl-N-phenyl-2-butenamide is C12H15NO.
What is the molecular weight of N-Ethyl-N-phenyl-2-butenamide?
The molecular weight of N-Ethyl-N-phenyl-2-butenamide is 189.12 g/mol.
Where can I buy N-Ethyl-N-phenyl-2-butenamide?
You can request a quote for N-Ethyl-N-phenyl-2-butenamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Ethyl-N-phenyl-2-butenamide?
Yes, KEHONG BIO provides custom synthesis services for N-Ethyl-N-phenyl-2-butenamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.