3-(4-phenoxyphenyl)propanamide

• ChemBase ID: 845627
• Molecular Formular: C15H15NO2
• Molecular Mass: 241.2851
• Monoisotopic Mass: 241.11027873
• SMILES: C(=O)(N)CCc1ccc(Oc2ccccc2)cc1
• Canonical SMILES: NC(=O)CCc1ccc(cc1)Oc1ccccc1
• InChI: InChI=1S/C15H15NO2/c16-15(17)11-8-12-6-9-14(10-7-12)18-13-4-2-1-3-5-13/h1-7,9-10H,8,11H2,(H2,16,17)
• InChIKey: SYZSYUUENSURKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-phenoxyphenyl)propanamide
• IUPAC Traditional name: 3-(4-phenoxyphenyl)propanamide
• Synonyms: 3-(4-phenoxyphenyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.717733
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.7489073
• LogD (pH = 7.4): 2.7489073
• Log P: 2.7489073
• Molar Refractivity: 70.0296 cm^3
• Polarizability: 27.392534 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.9
• LOG S: -3.44
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 5