2-(2-phenylacetamido)-N-propylbenzamide

• ChemBase ID: 194459
• Molecular Formular: C18H20N2O2
• Molecular Mass: 296.3636
• Monoisotopic Mass: 296.15247789
• SMILES: c1(c(NC(=O)Cc2ccccc2)cccc1)C(=O)NCCC
• Canonical SMILES: CCCNC(=O)c1ccccc1NC(=O)Cc1ccccc1
• InChI: InChI=1S/C18H20N2O2/c1-2-12-19-18(22)15-10-6-7-11-16(15)20-17(21)13-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,19,22)(H,20,21)
• InChIKey: FGPDNGPJMVFJLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-phenylacetamido)-N-propylbenzamide
• IUPAC Traditional name: 2-(2-phenylacetamido)-N-propylbenzamide

Database IDs

• PubChem SID: 164250369
• PubChem CID: 1747993

CALCULATED PROPERTIES

• Acid pKa: 12.49105
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.6489425
• LogD (pH = 7.4): 3.6489394
• Log P: 3.6489427
• Molar Refractivity: 88.8906 cm^3
• Polarizability: 33.157574 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds