benzyl N-(4-carbamoylphenyl)carbamate

• ChemBase ID: 811317
• Molecular Formular: C15H14N2O3
• Molecular Mass: 270.28326
• Monoisotopic Mass: 270.10044232
• SMILES: N(C(=O)OCc1ccccc1)c1ccc(cc1)C(=O)N
• Canonical SMILES: O=C(Nc1ccc(cc1)C(=O)N)OCc1ccccc1
• InChI: InChI=1S/C15H14N2O3/c16-14(18)12-6-8-13(9-7-12)17-15(19)20-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,16,18)(H,17,19)
• InChIKey: PEIQAQYSTLVEKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl N-(4-carbamoylphenyl)carbamate
• IUPAC Traditional name: benzyl N-(4-carbamoylphenyl)carbamate
• Synonyms: BENZYL 4-(AMINOCARBONYL)PHENYLCARBAMATE

CALCULATED PROPERTIES

• Acid pKa: 12.7365055
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.40536
• LogD (pH = 7.4): 2.4053588
• Log P: 2.4053607
• Molar Refractivity: 76.2356 cm^3
• Polarizability: 28.325754 Å^3
• Polar Surface Area: 81.42 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%