N,2-bis[4-(2-methylpropyl)phenyl]propanamide

• ChemBase ID: 185837
• Molecular Formular: C23H31NO
• Molecular Mass: 337.49834
• Monoisotopic Mass: 337.24056462
• SMILES: C(=O)(Nc1ccc(CC(C)C)cc1)C(c1ccc(cc1)CC(C)C)C
• Canonical SMILES: CC(Cc1ccc(cc1)NC(=O)C(c1ccc(cc1)CC(C)C)C)C
• InChI: InChI=1S/C23H31NO/c1-16(2)14-19-6-10-21(11-7-19)18(5)23(25)24-22-12-8-20(9-13-22)15-17(3)4/h6-13,16-18H,14-15H2,1-5H3,(H,24,25)
• InChIKey: HYQKNKPJTXUTTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2-bis[4-(2-methylpropyl)phenyl]propanamide
• IUPAC Traditional name: N,2-bis[4-(2-methylpropyl)phenyl]propanamide

Database IDs

• PubChem SID: 164241747
• PubChem CID: 3436173

CALCULATED PROPERTIES

• Acid pKa: 14.117743
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 6.9674377
• LogD (pH = 7.4): 6.9674377
• Log P: 6.9674377
• Molar Refractivity: 107.801 cm^3
• Polarizability: 41.28234 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds