phenyl N-(4-acetylphenyl)carbamate

• ChemBase ID: 254000
• Molecular Formular: C15H13NO3
• Molecular Mass: 255.26862
• Monoisotopic Mass: 255.08954328
• SMILES: C(=O)(Nc1ccc(C(=O)C)cc1)Oc1ccccc1
• Canonical SMILES: O=C(Oc1ccccc1)Nc1ccc(cc1)C(=O)C
• InChI: InChI=1S/C15H13NO3/c1-11(17)12-7-9-13(10-8-12)16-15(18)19-14-5-3-2-4-6-14/h2-10H,1H3,(H,16,18)
• InChIKey: LETGZXPZNAIRNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: phenyl N-(4-acetylphenyl)carbamate
• IUPAC Traditional name: phenyl N-(4-acetylphenyl)carbamate
• Synonyms: phenyl 4-acetylphenylcarbamate

Database IDs

• MDL Number: MFCD00532616
• PubChem SID: 164309910
• PubChem CID: 806009

CALCULATED PROPERTIES

• Acid pKa: 12.61414
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.0458531
• LogD (pH = 7.4): 3.0458508
• Log P: 3.0458534
• Molar Refractivity: 72.725 cm^3
• Polarizability: 27.361677 Å^3
• Polar Surface Area: 55.4 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.091

Product Information

• Purity: 95%