(3,3-diphenylpropyl)urea

• ChemBase ID: 107622
• Molecular Formular: C16H18N2O
• Molecular Mass: 254.32692
• Monoisotopic Mass: 254.14191321
• SMILES: NC(=O)NCCC(c1ccccc1)c1ccccc1
• Canonical SMILES: NC(=O)NCCC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C16H18N2O/c17-16(19)18-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H3,17,18,19)
• InChIKey: FYLUYCVTCRHSSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3,3-diphenylpropyl)urea
• IUPAC Traditional name: 3,3-diphenylpropylurea
• Synonyms: DIPHENYLPROPYLUREA

Database IDs

• PubChem SID: 162106060
• PubChem CID: 21886136

CALCULATED PROPERTIES

• Acid pKa: 15.611211
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 2.7383683
• LogD (pH = 7.4): 2.7383683
• Log P: 2.7383683
• Molar Refractivity: 76.6515 cm^3
• Polarizability: 29.648361 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05204377

MP Biomedicals Rare Chemical collection