TL;DR: (2S)-N-[4-(acetylamino)phenyl]-3-methyl-2-(4-oxoquinazolin-3(4H)-yl)butanamide (CAS 1173685-92-1) is a chemical compound with molecular formula C21H22N4O3 and molecular weight 378.1692 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-N-(4-acetamidophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide
Also Known As: (2S)-N-[4-(acetylamino)phenyl]-3-methyl-2-(4-oxoquinazolin-3(4H)-yl)butanamide, (S)-N-(4-acetamidophenyl)-3-methyl-2-(4-oxoquinazolin-3(4H)-yl)butanamide
| Molecular Formula | C21H22N4O3 |
| Molecular Weight | 378.1692 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 90.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 378.1692 Da |
| Heavy Atoms | 28 |
| Complexity | 625.0 |
| SMILES | CC(C)[C@@H](C(=O)NC1=CC=C(C=C1)NC(=O)C)N2C=NC3=CC=CC=C3C2=O |
| InChIKey | AZLNJLASFRNUAF-IBGZPJMESA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-N-[4-(acetylamino)phenyl]-3-methyl-2-(4-oxoquinazolin-3(4H)-yl)butanamide. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-N-[4-(acetylamino)phenyl]-3-methyl-2-(4-oxoquinazolin-3(4H)-yl)butanamide. Following Lipinski's Rule of Five, (2S)-N-[4-(acetylamino)phenyl]-3-methyl-2-(4-oxoquinazolin-3(4H)-yl)butanamide has 2 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 (2S)-N-[4-(acetylamino)phenyl]-3-methyl-2-(4-oxoquinazolin-3(4H)-yl)butanamide is 1173685-92-1.
The molecular formula of (2S)-N-[4-(acetylamino)phenyl]-3-methyl-2-(4-oxoquinazolin-3(4H)-yl)butanamide is C21H22N4O3.
The molecular weight of (2S)-N-[4-(acetylamino)phenyl]-3-methyl-2-(4-oxoquinazolin-3(4H)-yl)butanamide is 378.1692 g/mol.
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