N-phenyl-2-(propylamino)propanamide

• ChemBase ID: 266580
• Molecular Formular: C12H18N2O
• Molecular Mass: 206.28412
• Monoisotopic Mass: 206.14191321
• SMILES: C(=O)(Nc1ccccc1)C(NCCC)C
• Canonical SMILES: CCCNC(C(=O)Nc1ccccc1)C
• InChI: InChI=1S/C12H18N2O/c1-3-9-13-10(2)12(15)14-11-7-5-4-6-8-11/h4-8,10,13H,3,9H2,1-2H3,(H,14,15)
• InChIKey: DENITXZENVSYCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-phenyl-2-(propylamino)propanamide
• IUPAC Traditional name: N-phenyl-2-(propylamino)propanamide
• Synonyms: N-phenyl-2-(propylamino)propanamide

Database IDs

• MDL Number: MFCD11174331
• PubChem SID: 164322490
• PubChem CID: 43083688

CALCULATED PROPERTIES

• Acid pKa: 13.379301
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.80452204
• LogD (pH = 7.4): 0.75103974
• Log P: 2.1675012
• Molar Refractivity: 62.8218 cm^3
• Polarizability: 24.108282 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.958

Product Information

• Purity: 95%