TL;DR: methyl N-{[4-(acetylamino)phenyl]carbamoyl}-L-phenylalaninate (CAS 1173664-51-1) is a chemical compound with molecular formula C19H21N3O4 and molecular weight 355.1532 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2S)-2-[(4-acetamidophenyl)carbamoylamino]-3-phenylpropanoate
Also Known As: (S)-methyl 2-(3-(4-acetamidophenyl)ureido)-3-phenylpropanoate, methyl N-{[4-(acetylamino)phenyl]carbamoyl}-L-phenylalaninate
| Molecular Formula | C19H21N3O4 |
| Molecular Weight | 355.1532 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 96.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 355.1532 Da |
| Heavy Atoms | 26 |
| Complexity | 483.0 |
| SMILES | CC(=O)NC1=CC=C(C=C1)NC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC |
| InChIKey | XHYGUOPKZVNPQH-KRWDZBQOSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-{[4-(acetylamino)phenyl]carbamoyl}-L-phenylalaninate. The TPSA of 96.5 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-{[4-(acetylamino)phenyl]carbamoyl}-L-phenylalaninate. Following Lipinski's Rule of Five, methyl N-{[4-(acetylamino)phenyl]carbamoyl}-L-phenylalaninate has 3 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 methyl N-{[4-(acetylamino)phenyl]carbamoyl}-L-phenylalaninate is 1173664-51-1.
The molecular formula of methyl N-{[4-(acetylamino)phenyl]carbamoyl}-L-phenylalaninate is C19H21N3O4.
The molecular weight of methyl N-{[4-(acetylamino)phenyl]carbamoyl}-L-phenylalaninate is 355.1532 g/mol.
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