N-ethyl-N-(2-methylphenyl)-3-oxobutanamide
TL;DR: N-ethyl-N-(2-methylphenyl)-3-oxobutanamide (CAS 42827-13-4) is a chemical compound with molecular formula C13H17NO2 and molecular weight 219.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-ethyl-N-(2-methylphenyl)-3-oxobutanamide
Also Known As: N-Ethyl-Ortho-Acetoacetotoluidide, N-Ethyl-3-oxo-N-o-tolyl-butyramide, acetoacetic acid-(N-ethyl-o-toluidide), N-ethyl-N-(2-methylphenyl)-3-oxobutanamide, N-ethyl-N-(2-methylphenyl)-3-oxo-butanamide
| Molecular Formula | C13H17NO2 |
|---|---|
| Molecular Weight | 219.13 g/mol |
| LogP | 2.32702 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 219.12593 |
| Heavy Atoms | 16 |
| Complexity | 398.674 |
Chemical Identifiers
| CAS Number | 42827-13-4 |
|---|---|
| SMILES | CCN(C1=CC=CC=C1C)C(=O)CC(=O)C |
Product Overview
N-ethyl-N-(2-methylphenyl)-3-oxobutanamide (CAS 42827-13-4), with molecular formula C13H17NO2 and molecular weight 219.13 g/mol. IUPAC: N-ethyl-N-(2-methylphenyl)-3-oxobutanamide.
Chemical Property Profile of N-ethyl-N-(2-methylphenyl)-3-oxobutanamide
Property Insights of N-ethyl-N-(2-methylphenyl)-3-oxobutanamide
The XLogP value of 2.32702 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-ethyl-N-(2-methylphenyl)-3-oxobutanamide. With a topological polar surface area (TPSA) of 37.38 Ų, N-ethyl-N-(2-methylphenyl)-3-oxobutanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-ethyl-N-(2-methylphenyl)-3-oxobutanamide has 0 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 N-ethyl-N-(2-methylphenyl)-3-oxobutanamide?
The CAS number of N-ethyl-N-(2-methylphenyl)-3-oxobutanamide is 42827-13-4.
What is the molecular formula of N-ethyl-N-(2-methylphenyl)-3-oxobutanamide?
The molecular formula of N-ethyl-N-(2-methylphenyl)-3-oxobutanamide is C13H17NO2.
What is the molecular weight of N-ethyl-N-(2-methylphenyl)-3-oxobutanamide?
The molecular weight of N-ethyl-N-(2-methylphenyl)-3-oxobutanamide is 219.13 g/mol.
Where can I buy N-ethyl-N-(2-methylphenyl)-3-oxobutanamide?
You can request a quote for N-ethyl-N-(2-methylphenyl)-3-oxobutanamide 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-(2-methylphenyl)-3-oxobutanamide?
Yes, KEHONG BIO provides custom synthesis services for N-ethyl-N-(2-methylphenyl)-3-oxobutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.