2-Propenamide, 3-(1,3-benzodioxol-5-yl)-N-(1-methylethyl)-
TL;DR: 2-Propenamide, 3-(1,3-benzodioxol-5-yl)-N-(1-methylethyl)- (CAS 16873-87-3) is a chemical compound with molecular formula C13H15NO3 and molecular weight 233.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-yl)-N-propan-2-ylprop-2-enamide
Also Known As: 3-(1,3-benzodioxol-5-yl)-N-propan-2-ylprop-2-enamide, 2-Propenamide, 3-(1,3-benzodioxol-5-yl)-N-(1-methylethyl)-, 3-(1,3-benzodioxol-5-yl)-N-(1-methylethyl)-2-propen-amide, 3-(2H-1,3-benzodioxol-5-yl)-N-(propan-2-yl)prop-2-enamide
| Molecular Formula | C13H15NO3 |
|---|---|
| Molecular Weight | 233.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.1052 |
| Heavy Atoms | 17 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 16873-87-3 |
|---|---|
| SMILES | CC(C)NC(=O)C=CC1=CC2=C(C=C1)OCO2 |
| InChIKey | XZJQSCOWGBTZFY-UHFFFAOYSA-N |
Product Overview
2-Propenamide, 3-(1,3-benzodioxol-5-yl)-N-(1-methylethyl)- (CAS 16873-87-3), with molecular formula C13H15NO3 and molecular weight 233.11 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yl)-N-propan-2-ylprop-2-enamide.
Chemical Property Profile of 2-Propenamide, 3-(1,3-benzodioxol-5-yl)-N-(1-methylethyl)-
Property Insights of 2-Propenamide, 3-(1,3-benzodioxol-5-yl)-N-(1-methylethyl)-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenamide, 3-(1,3-benzodioxol-5-yl)-N-(1-methylethyl)-. With a topological polar surface area (TPSA) of 47.6 Ų, 2-Propenamide, 3-(1,3-benzodioxol-5-yl)-N-(1-methylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenamide, 3-(1,3-benzodioxol-5-yl)-N-(1-methylethyl)- has 1 hydrogen bond donor(s) and 3 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-Propenamide, 3-(1,3-benzodioxol-5-yl)-N-(1-methylethyl)-?
The CAS number of 2-Propenamide, 3-(1,3-benzodioxol-5-yl)-N-(1-methylethyl)- is 16873-87-3.
What is the molecular formula of 2-Propenamide, 3-(1,3-benzodioxol-5-yl)-N-(1-methylethyl)-?
The molecular formula of 2-Propenamide, 3-(1,3-benzodioxol-5-yl)-N-(1-methylethyl)- is C13H15NO3.
What is the molecular weight of 2-Propenamide, 3-(1,3-benzodioxol-5-yl)-N-(1-methylethyl)-?
The molecular weight of 2-Propenamide, 3-(1,3-benzodioxol-5-yl)-N-(1-methylethyl)- is 233.11 g/mol.
Where can I buy 2-Propenamide, 3-(1,3-benzodioxol-5-yl)-N-(1-methylethyl)-?
You can request a quote for 2-Propenamide, 3-(1,3-benzodioxol-5-yl)-N-(1-methylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenamide, 3-(1,3-benzodioxol-5-yl)-N-(1-methylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenamide, 3-(1,3-benzodioxol-5-yl)-N-(1-methylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.