TL;DR: [(1-Phenyl-ethylcarbamoyl)-methyl]-carbamic acid tert-butyl ester (CAS 1023370-35-5) is a chemical compound with molecular formula C15H22N2O3 and molecular weight 278.16306 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl N-[2-oxo-2-(1-phenylethylamino)ethyl]carbamate
Also Known As: BB 0217553, AB01331682-02, Tert-butyl N-(1-phenylethylcarbamoylmethyl)carbamate, [(1-Phenyl-ethylcarbamoyl)-methyl]-carbamic acid tert-butyl ester, tert-butyl {2-oxo-2-[(1-phenylethyl)amino]ethyl}carbamate
| Molecular Formula | C15H22N2O3 |
| Molecular Weight | 278.16306 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 278.16306 Da |
| Heavy Atoms | 20 |
| Complexity | 331.0 |
| SMILES | CC(C1=CC=CC=C1)NC(=O)CNC(=O)OC(C)(C)C |
| InChIKey | QGUJTKWZZPWQFY-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(1-Phenyl-ethylcarbamoyl)-methyl]-carbamic acid tert-butyl ester. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1-Phenyl-ethylcarbamoyl)-methyl]-carbamic acid tert-butyl ester. Following Lipinski's Rule of Five, [(1-Phenyl-ethylcarbamoyl)-methyl]-carbamic acid tert-butyl ester 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 [(1-Phenyl-ethylcarbamoyl)-methyl]-carbamic acid tert-butyl ester is 1023370-35-5.
The molecular formula of [(1-Phenyl-ethylcarbamoyl)-methyl]-carbamic acid tert-butyl ester is C15H22N2O3.
The molecular weight of [(1-Phenyl-ethylcarbamoyl)-methyl]-carbamic acid tert-butyl ester is 278.16306 g/mol.
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