ethyl N-(2,2-diphenylacetyl)carbamate

• ChemBase ID: 129284
• Molecular Formular: C17H17NO3
• Molecular Mass: 283.32178
• Monoisotopic Mass: 283.12084341
• SMILES: c1ccccc1C(C(=O)NC(=O)OCC)c1ccccc1
• Canonical SMILES: CCOC(=O)NC(=O)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C17H17NO3/c1-2-21-17(20)18-16(19)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3,(H,18,19,20)
• InChIKey: ILSZPWZFQHSKLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl N-(2,2-diphenylacetyl)carbamate
• IUPAC Traditional name: ethyl N-(2,2-diphenylacetyl)carbamate
• Synonyms: Ro01-6128

Database IDs

• PubChem SID: 162223578
• PubChem CID: 9903898
• IUPHAR ligand ID: 1386
• Wikipedia Title: Ro01-6128

CALCULATED PROPERTIES

• Acid pKa: 8.454233
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.4450724
• LogD (pH = 7.4): 3.4092531
• Log P: 3.4455492
• Molar Refractivity: 79.7954 cm^3
• Polarizability: 31.096199 Å^3
• Polar Surface Area: 55.4 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true