TL;DR: 2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-[(oxolan-2-yl)methyl]prop-2-enamide (CAS 1164473-39-5) is a chemical compound with molecular formula C16H18N2O4 and molecular weight 302.12665 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide
Also Known As: BAS 00781187, 2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-[(oxolan-2-yl)methyl]prop-2-enamide, 2-CYANO-3-(4-HYDROXY-3-METHOXYPHENYL)-N-(TETRAHYDRO-2-FURANYLMETHYL)ACRYLAMIDE, (2E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-(tetrahydrofuran-2-ylmethyl)prop-2-enamide, (2E)-2-CYANO-3-(4-HYDROXY-3-METHOXYPHENYL)-N-[(OXOLAN-2-YL)METHYL]PROP-2-ENAMIDE
| Molecular Formula | C16H18N2O4 |
| Molecular Weight | 302.12665 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 91.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 302.12665 Da |
| Heavy Atoms | 22 |
| Complexity | 468.0 |
| SMILES | COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NCC2CCCO2)O |
| InChIKey | LQVCHKCWPQGZJX-KPKJPENVSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-[(oxolan-2-yl)methyl]prop-2-enamide. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-[(oxolan-2-yl)methyl]prop-2-enamide. Following Lipinski's Rule of Five, 2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-[(oxolan-2-yl)methyl]prop-2-enamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-[(oxolan-2-yl)methyl]prop-2-enamide is 1164473-39-5.
The molecular formula of 2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-[(oxolan-2-yl)methyl]prop-2-enamide is C16H18N2O4.
The molecular weight of 2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-[(oxolan-2-yl)methyl]prop-2-enamide is 302.12665 g/mol.
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