2-phenyl-N-[(1S,2S)-2-(2-phenylacetamido)cyclopropyl]acetamide

• ChemBase ID: 73547
• Molecular Formular: C19H20N2O2
• Molecular Mass: 308.3743
• Monoisotopic Mass: 308.15247789
• SMILES: N([C@H]1C[C@@H]1NC(=O)Cc1ccccc1)C(=O)Cc1ccccc1
• Canonical SMILES: O=C(Cc1ccccc1)N[C@H]1C[C@@H]1NC(=O)Cc1ccccc1
• InChI: InChI=1S/C19H20N2O2/c22-18(11-14-7-3-1-4-8-14)20-16-13-17(16)21-19(23)12-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2,(H,20,22)(H,21,23)/t16-,17-/m0/s1
• InChIKey: WRQROZTWMBYWDN-IRXDYDNUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenyl-N-[(1S,2S)-2-(2-phenylacetamido)cyclopropyl]acetamide
• IUPAC Traditional name: 2-phenyl-N-[(1S,2S)-2-(2-phenylacetamido)cyclopropyl]acetamide
• Synonyms: trans-1,2-Bis(phenylacetamido)cyclopropane

Database IDs

• MDL Number: MFCD00832100
• PubChem SID: 162038466
• PubChem CID: 2735527

CALCULATED PROPERTIES

• Acid pKa: 15.28929
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.8918991
• LogD (pH = 7.4): 1.8918991
• Log P: 1.8918991
• Molar Refractivity: 88.4368 cm^3
• Polarizability: 34.499516 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 133-135°C