N-[2-(2,5-dimethoxyphenyl)phenyl]propanamide

• ChemBase ID: 715368
• Molecular Formular: C17H19NO3
• Molecular Mass: 285.33766
• Monoisotopic Mass: 285.13649347
• SMILES: c1(c2c(NC(=O)CC)cccc2)c(ccc(c1)OC)OC
• Canonical SMILES: CCC(=O)Nc1ccccc1c1cc(OC)ccc1OC
• InChI: InChI=1S/C17H19NO3/c1-4-17(19)18-15-8-6-5-7-13(15)14-11-12(20-2)9-10-16(14)21-3/h5-11H,4H2,1-3H3,(H,18,19)
• InChIKey: BBUKDMOVPSBVPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2,5-dimethoxyphenyl)phenyl]propanamide
• IUPAC Traditional name: N-[2-(2,5-dimethoxyphenyl)phenyl]propanamide
• Synonyms: N-(2',5'-dimethoxybiphenyl-2-yl)propanamide

CALCULATED PROPERTIES

JChem

• Polarizability: 33.049942 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 13.399332
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.2433748
• LogD (pH = 7.4): 3.2433743
• Log P: 3.2433748
• Molar Refractivity: 83.6105 cm^3

供应商提供(Chembridge)

• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 5
• H Acceptors: 3
• H Donor: 1
• Log P: 2.01
• LOG S: -3.0