4-phenyl-N-(1-phenylpropan-2-yl)oxane-4-carboxamide

• ChemBase ID: 192137
• Molecular Formular: C21H25NO2
• Molecular Mass: 323.4287
• Monoisotopic Mass: 323.18852905
• SMILES: C(=O)(C1(c2ccccc2)CCOCC1)NC(Cc1ccccc1)C
• Canonical SMILES: CC(NC(=O)C1(CCOCC1)c1ccccc1)Cc1ccccc1
• InChI: InChI=1S/C21H25NO2/c1-17(16-18-8-4-2-5-9-18)22-20(23)21(12-14-24-15-13-21)19-10-6-3-7-11-19/h2-11,17H,12-16H2,1H3,(H,22,23)
• InChIKey: SPYHTFNRKURGIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-phenyl-N-(1-phenylpropan-2-yl)oxane-4-carboxamide
• IUPAC Traditional name: 4-phenyl-N-(1-phenylpropan-2-yl)oxane-4-carboxamide

Database IDs

• PubChem SID: 164248047
• PubChem CID: 2900568

CALCULATED PROPERTIES

• Acid pKa: 15.705759
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.733921
• LogD (pH = 7.4): 3.733921
• Log P: 3.733921
• Molar Refractivity: 96.4957 cm^3
• Polarizability: 37.68384 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds