N-(1-phenylpropan-2-yl)-3-[(1-phenylpropan-2-yl)amino]propanamide

• ChemBase ID: 183499
• Molecular Formular: C21H28N2O
• Molecular Mass: 324.45982
• Monoisotopic Mass: 324.22016353
• SMILES: C(=O)(NC(Cc1ccccc1)C)CCNC(Cc1ccccc1)C
• Canonical SMILES: CC(Cc1ccccc1)NCCC(=O)NC(Cc1ccccc1)C
• InChI: InChI=1S/C21H28N2O/c1-17(15-19-9-5-3-6-10-19)22-14-13-21(24)23-18(2)16-20-11-7-4-8-12-20/h3-12,17-18,22H,13-16H2,1-2H3,(H,23,24)
• InChIKey: QYOZODNWEZVAND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-phenylpropan-2-yl)-3-[(1-phenylpropan-2-yl)amino]propanamide
• IUPAC Traditional name: N-(1-phenylpropan-2-yl)-3-[(1-phenylpropan-2-yl)amino]propanamide

Database IDs

• PubChem SID: 164239409
• PubChem CID: 3806429

CALCULATED PROPERTIES

• Acid pKa: 16.086004
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.61655974
• LogD (pH = 7.4): 1.6619285
• Log P: 3.7982697
• Molar Refractivity: 99.7691 cm^3
• Polarizability: 39.2056 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds