TL;DR: 2-Hydroxy-4-oxo-4-phenyl-N-tricyclo(3.3.1.1(sup 3,7))dec-1-yl-2-butenamide (CAS 126681-78-5) is a chemical compound with molecular formula C20H23NO3 and molecular weight 325.1678 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z)-N-(1-adamantyl)-4-hydroxy-2-oxo-4-phenylbut-3-enamide
Also Known As: 2-Hydroxy-4-oxo-4-phenyl-N-tricyclo(3.3.1.1(sup 3,7))dec-1-yl-2-butenamide, 2-Butenamide, 2-hydroxy-4-oxo-4-phenyl-N-tricyclo(3.3.1.1(sup 3,7))dec-1-yl-, (Z)-N-(1-adamantyl)-4-hydroxy-2-oxo-4-phenylbut-3-enamide, BRN 4199731
| Molecular Formula | C20H23NO3 |
| Molecular Weight | 325.1678 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.1678 Da |
| Heavy Atoms | 24 |
| Complexity | 518.0 |
| SMILES | C1C2CC3CC1CC(C2)(C3)NC(=O)C(=O)/C=C(/C4=CC=CC=C4)\O |
| InChIKey | GRCGALLUQWVLOK-MFOYZWKCSA-N |
The XLogP value of 4.2 indicates that 2-Hydroxy-4-oxo-4-phenyl-N-tricyclo(3.3.1.1(sup 3,7))dec-1-yl-2-butenamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hydroxy-4-oxo-4-phenyl-N-tricyclo(3.3.1.1(sup 3,7))dec-1-yl-2-butenamide. Following Lipinski's Rule of Five, 2-Hydroxy-4-oxo-4-phenyl-N-tricyclo(3.3.1.1(sup 3,7))dec-1-yl-2-butenamide has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Hydroxy-4-oxo-4-phenyl-N-tricyclo(3.3.1.1(sup 3,7))dec-1-yl-2-butenamide is 126681-78-5.
The molecular formula of 2-Hydroxy-4-oxo-4-phenyl-N-tricyclo(3.3.1.1(sup 3,7))dec-1-yl-2-butenamide is C20H23NO3.
The molecular weight of 2-Hydroxy-4-oxo-4-phenyl-N-tricyclo(3.3.1.1(sup 3,7))dec-1-yl-2-butenamide is 325.1678 g/mol.
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