TL;DR: 2-Cyano-3-(4-dimethylamino-phenyl)-N-furan-2-ylmethyl-acrylamide (CAS 1164459-22-6) is a chemical compound with molecular formula C17H17N3O2 and molecular weight 295.13208 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-2-cyano-3-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)prop-2-enamide
Also Known As: BAS 00786195, 2-Cyano-3-(4-dimethylamino-phenyl)-N-furan-2-ylmethyl-acrylamide, AB00561788-02, (E)-2-cyano-3-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)prop-2-enamide, (E)-2-cyano-3-[4-(dimethylamino)phenyl]-N-(2-furfuryl)acrylamide
| Molecular Formula | C17H17N3O2 |
| Molecular Weight | 295.13208 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 69.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 295.13208 Da |
| Heavy Atoms | 22 |
| Complexity | 456.0 |
| SMILES | CN(C)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)NCC2=CC=CO2 |
| InChIKey | NWOAAYNBCRAOMF-GXDHUFHOSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyano-3-(4-dimethylamino-phenyl)-N-furan-2-ylmethyl-acrylamide. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyano-3-(4-dimethylamino-phenyl)-N-furan-2-ylmethyl-acrylamide. Following Lipinski's Rule of Five, 2-Cyano-3-(4-dimethylamino-phenyl)-N-furan-2-ylmethyl-acrylamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Cyano-3-(4-dimethylamino-phenyl)-N-furan-2-ylmethyl-acrylamide is 1164459-22-6.
The molecular formula of 2-Cyano-3-(4-dimethylamino-phenyl)-N-furan-2-ylmethyl-acrylamide is C17H17N3O2.
The molecular weight of 2-Cyano-3-(4-dimethylamino-phenyl)-N-furan-2-ylmethyl-acrylamide is 295.13208 g/mol.
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