2-(3-hydroxyphenyl)-N,N-dimethylbenzamide

• ChemBase ID: 358751
• Molecular Formular: C15H15NO2
• Molecular Mass: 241.2851
• Monoisotopic Mass: 241.11027873
• SMILES: C(=O)(c1c(c2cc(O)ccc2)cccc1)N(C)C
• Canonical SMILES: Oc1cccc(c1)c1ccccc1C(=O)N(C)C
• InChI: InChI=1S/C15H15NO2/c1-16(2)15(18)14-9-4-3-8-13(14)11-6-5-7-12(17)10-11/h3-10,17H,1-2H3
• InChIKey: GTTWMFVYJSQWCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-hydroxyphenyl)-N,N-dimethylbenzamide
• IUPAC Traditional name: 2-(3-hydroxyphenyl)-N,N-dimethylbenzamide
• Synonyms: 3'-hydroxy-N,N-dimethyl-2-biphenylcarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.781812
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6148756
• LogD (pH = 7.4): 2.6131098
• Log P: 2.6148982
• Molar Refractivity: 72.0469 cm^3
• Polarizability: 28.425888 Å^3
• Polar Surface Area: 40.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 1.94
• LOG S: -2.03
• Polar Surface Area: 40.54 Å^2
• Rotatable Bonds: 2