2-methoxy-N-{2-[4-(propan-2-yl)phenyl]phenyl}acetamide

• ChemBase ID: 642762
• Molecular Formular: C18H21NO2
• Molecular Mass: 283.36484
• Monoisotopic Mass: 283.15722892
• SMILES: c1(NC(=O)COC)c(c2ccc(cc2)C(C)C)cccc1
• Canonical SMILES: COCC(=O)Nc1ccccc1c1ccc(cc1)C(C)C
• InChI: InChI=1S/C18H21NO2/c1-13(2)14-8-10-15(11-9-14)16-6-4-5-7-17(16)19-18(20)12-21-3/h4-11,13H,12H2,1-3H3,(H,19,20)
• InChIKey: DHGWAFRUUTUKFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-N-{2-[4-(propan-2-yl)phenyl]phenyl}acetamide
• IUPAC Traditional name: N-[2-(4-isopropylphenyl)phenyl]-2-methoxyacetamide
• Synonyms: N-(4'-isopropylbiphenyl-2-yl)-2-methoxyacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.482203
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.929069
• LogD (pH = 7.4): 3.9290657
• Log P: 3.929069
• Molar Refractivity: 86.7014 cm^3
• Polarizability: 34.18602 Å^3
• Polar Surface Area: 38.33 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: 3.2
• LOG S: -4.0
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 5