N-(2-propoxyphenyl)-2-butenediamide
TL;DR: N-(2-propoxyphenyl)-2-butenediamide (CAS 1164489-60-4) is a chemical compound with molecular formula C13H16N2O3 and molecular weight 248.11609 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-N'-(2-propoxyphenyl)but-2-enediamide
Also Known As: N1-(2-propoxyphenyl)fumaramide, N-(2-propoxyphenyl)-2-butenediamide, (E)-N'-(2-propoxyphenyl)but-2-enediamide, (2E)-N-(2-propoxyphenyl)but-2-enediamide, N~1~-(2-propoxyphenyl)-2-butenediamide
Technical Specifications
| Molecular Formula | C13H16N2O3 |
| Molecular Weight | 248.11609 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 81.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 248.11609 Da |
| Heavy Atoms | 18 |
| Complexity | 315.0 |
| SMILES | CCCOC1=CC=CC=C1NC(=O)/C=C/C(=O)N |
| InChIKey | ATRRQBZUOKATSJ-BQYQJAHWSA-N |
Chemical Property Profile of N-(2-propoxyphenyl)-2-butenediamide
Property Insights of N-(2-propoxyphenyl)-2-butenediamide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-propoxyphenyl)-2-butenediamide. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-propoxyphenyl)-2-butenediamide. Following Lipinski's Rule of Five, N-(2-propoxyphenyl)-2-butenediamide has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(2-propoxyphenyl)-2-butenediamide?
The CAS number of N-(2-propoxyphenyl)-2-butenediamide is 1164489-60-4.
What is the molecular formula of N-(2-propoxyphenyl)-2-butenediamide?
The molecular formula of N-(2-propoxyphenyl)-2-butenediamide is C13H16N2O3.
What is the molecular weight of N-(2-propoxyphenyl)-2-butenediamide?
The molecular weight of N-(2-propoxyphenyl)-2-butenediamide is 248.11609 g/mol.
Where can I buy N-(2-propoxyphenyl)-2-butenediamide?
You can request a quote for N-(2-propoxyphenyl)-2-butenediamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(2-propoxyphenyl)-2-butenediamide?
Yes, CoreyChem provides custom synthesis services for N-(2-propoxyphenyl)-2-butenediamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.