N-ethyl-N-(1-hydroxypropan-2-yl)-2-phenylbenzamide

• ChemBase ID: 616996
• Molecular Formular: C18H21NO2
• Molecular Mass: 283.36484
• Monoisotopic Mass: 283.15722892
• SMILES: C(=O)(c1c(c2ccccc2)cccc1)N(C(CO)C)CC
• Canonical SMILES: OCC(N(C(=O)c1ccccc1c1ccccc1)CC)C
• InChI: InChI=1S/C18H21NO2/c1-3-19(14(2)13-20)18(21)17-12-8-7-11-16(17)15-9-5-4-6-10-15/h4-12,14,20H,3,13H2,1-2H3
• InChIKey: ZINQZCCZBJUQOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-(1-hydroxypropan-2-yl)-2-phenylbenzamide
• IUPAC Traditional name: N-ethyl-N-(1-hydroxypropan-2-yl)-2-phenylbenzamide
• Synonyms: N-ethyl-N-(2-hydroxy-1-methylethyl)biphenyl-2-carboxamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Log P: 2.14
• LOG S: -3.1
• Polar Surface Area: 40.54 Å^2
• Rotatable Bonds: 5
• H Acceptors: 2
• H Donor: 1

JChem

• Molar Refractivity: 85.5257 cm^3
• Polarizability: 33.980705 Å^3
• Polar Surface Area: 40.54 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 15.102814
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.0017445
• LogD (pH = 7.4): 3.0017445
• Log P: 3.0017445