N,N'-bis(2-phenylethyl)propanediamide

• ChemBase ID: 229126
• Molecular Formular: C19H22N2O2
• Molecular Mass: 310.39018
• Monoisotopic Mass: 310.16812795
• SMILES: C(C(=O)NCCc1ccccc1)C(=O)NCCc1ccccc1
• Canonical SMILES: O=C(CC(=O)NCCc1ccccc1)NCCc1ccccc1
• InChI: InChI=1S/C19H22N2O2/c22-18(20-13-11-16-7-3-1-4-8-16)15-19(23)21-14-12-17-9-5-2-6-10-17/h1-10H,11-15H2,(H,20,22)(H,21,23)
• InChIKey: RUHYVHRJAHLOLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N'-bis(2-phenylethyl)propanediamide
• IUPAC Traditional name: N,N'-bis(2-phenylethyl)propanediamide
• Synonyms: N,N'-Diphenethyl-malonamide

Database IDs

• CAS Number: 67942-22-7
• MDL Number: MFCD01060446
• PubChem SID: 164285036
• PubChem CID: 2404841

CALCULATED PROPERTIES

• Acid pKa: 12.724935
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.5286183
• LogD (pH = 7.4): 2.5286162
• Log P: 2.5286183
• Molar Refractivity: 91.1608 cm^3
• Polarizability: 35.233833 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.549

Product Information

• Purity: 95%