(2E)-N-(2-cyanoethyl)-3-ethoxy-N-methylprop-2-enamide
TL;DR: (2E)-N-(2-cyanoethyl)-3-ethoxy-N-methylprop-2-enamide (CAS 1164539-18-7) is a chemical compound with molecular formula C9H14N2O2 and molecular weight 182.10553 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-N-(2-cyanoethyl)-3-ethoxy-N-methylprop-2-enamide
Also Known As: (E)-N-(2-cyanoethyl)-3-ethoxy-N-methylacrylamide, (2E)-N-(2-cyanoethyl)-3-ethoxy-N-methylprop-2-enamide, (E)-N-(2-cyanoethyl)-3-ethoxy-N-methylprop-2-enamide
Technical Specifications
| Molecular Formula | C9H14N2O2 |
| Molecular Weight | 182.10553 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 53.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 182.10553 Da |
| Heavy Atoms | 13 |
| Complexity | 227.0 |
| SMILES | CCO/C=C/C(=O)N(C)CCC#N |
| InChIKey | RMYSZMPXPMYFSR-VMPITWQZSA-N |
Chemical Property Profile of (2E)-N-(2-cyanoethyl)-3-ethoxy-N-methylprop-2-enamide
Property Insights of (2E)-N-(2-cyanoethyl)-3-ethoxy-N-methylprop-2-enamide
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-N-(2-cyanoethyl)-3-ethoxy-N-methylprop-2-enamide. With a topological polar surface area (TPSA) of 53.3 Ų, (2E)-N-(2-cyanoethyl)-3-ethoxy-N-methylprop-2-enamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-N-(2-cyanoethyl)-3-ethoxy-N-methylprop-2-enamide has 0 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 (2E)-N-(2-cyanoethyl)-3-ethoxy-N-methylprop-2-enamide?
The CAS number of (2E)-N-(2-cyanoethyl)-3-ethoxy-N-methylprop-2-enamide is 1164539-18-7.
What is the molecular formula of (2E)-N-(2-cyanoethyl)-3-ethoxy-N-methylprop-2-enamide?
The molecular formula of (2E)-N-(2-cyanoethyl)-3-ethoxy-N-methylprop-2-enamide is C9H14N2O2.
What is the molecular weight of (2E)-N-(2-cyanoethyl)-3-ethoxy-N-methylprop-2-enamide?
The molecular weight of (2E)-N-(2-cyanoethyl)-3-ethoxy-N-methylprop-2-enamide is 182.10553 g/mol.
Where can I buy (2E)-N-(2-cyanoethyl)-3-ethoxy-N-methylprop-2-enamide?
You can request a quote for (2E)-N-(2-cyanoethyl)-3-ethoxy-N-methylprop-2-enamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2E)-N-(2-cyanoethyl)-3-ethoxy-N-methylprop-2-enamide?
Yes, CoreyChem provides custom synthesis services for (2E)-N-(2-cyanoethyl)-3-ethoxy-N-methylprop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.