N,N-dimethyl-2-[4-(2-methylpyridin-4-yl)phenyl]acetamide

• ChemBase ID: 720678
• Molecular Formular: C16H18N2O
• Molecular Mass: 254.32692
• Monoisotopic Mass: 254.14191321
• SMILES: C(=O)(N(C)C)Cc1ccc(c2cc(ncc2)C)cc1
• Canonical SMILES: Cc1nccc(c1)c1ccc(cc1)CC(=O)N(C)C
• InChI: InChI=1S/C16H18N2O/c1-12-10-15(8-9-17-12)14-6-4-13(5-7-14)11-16(19)18(2)3/h4-10H,11H2,1-3H3
• InChIKey: OHOAQKMDJMKHER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-2-[4-(2-methylpyridin-4-yl)phenyl]acetamide
• IUPAC Traditional name: N,N-dimethyl-2-[4-(2-methylpyridin-4-yl)phenyl]acetamide
• Synonyms: N,N-dimethyl-2-[4-(2-methylpyridin-4-yl)phenyl]acetamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 1.8
• LOG S: -2.59
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 3

JChem

• H Donor: 0
• LogD (pH = 5.5): 1.3749199
• LogD (pH = 7.4): 1.8023034
• Log P: 1.8123267
• Molar Refractivity: 76.552 cm^3
• Polarizability: 30.765772 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 2