2-{4-[2-(dimethylamino)phenyl]phenyl}-N-methylacetamide

• ChemBase ID: 578817
• Molecular Formular: C17H20N2O
• Molecular Mass: 268.3535
• Monoisotopic Mass: 268.15756327
• SMILES: c1(c(c2ccc(CC(=O)NC)cc2)cccc1)N(C)C
• Canonical SMILES: CNC(=O)Cc1ccc(cc1)c1ccccc1N(C)C
• InChI: InChI=1S/C17H20N2O/c1-18-17(20)12-13-8-10-14(11-9-13)15-6-4-5-7-16(15)19(2)3/h4-11H,12H2,1-3H3,(H,18,20)
• InChIKey: XNALCCKMZNNXDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{4-[2-(dimethylamino)phenyl]phenyl}-N-methylacetamide
• IUPAC Traditional name: 2-{4-[2-(dimethylamino)phenyl]phenyl}-N-methylacetamide
• Synonyms: 2-[2'-(dimethylamino)biphenyl-4-yl]-N-methylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.921453
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6092625
• LogD (pH = 7.4): 2.7803147
• Log P: 2.782997
• Molar Refractivity: 83.6493 cm^3
• Polarizability: 32.896595 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 1
• H Donor: 1
• Log P: 2.41
• LOG S: -3.22
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 4