2-(dimethylamino)-N-[(4,6-dimethylpyridin-2-yl)methyl]-N-methyl-2-(4-methylphenyl)acetamide

• ChemBase ID: 510126
• Molecular Formular: C20H27N3O
• Molecular Mass: 325.44788
• Monoisotopic Mass: 325.2154125
• SMILES: C(=O)(N(Cc1nc(cc(c1)C)C)C)C(c1ccc(cc1)C)N(C)C
• Canonical SMILES: Cc1ccc(cc1)C(C(=O)N(Cc1cc(C)cc(n1)C)C)N(C)C
• InChI: InChI=1S/C20H27N3O/c1-14-7-9-17(10-8-14)19(22(4)5)20(24)23(6)13-18-12-15(2)11-16(3)21-18/h7-12,19H,13H2,1-6H3
• InChIKey: JZKRHFGCJSTKTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)-N-[(4,6-dimethylpyridin-2-yl)methyl]-N-methyl-2-(4-methylphenyl)acetamide
• IUPAC Traditional name: 2-(dimethylamino)-N-[(4,6-dimethylpyridin-2-yl)methyl]-N-methyl-2-(4-methylphenyl)acetamide
• Synonyms: 2-(dimethylamino)-N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-2-(4-methylphenyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.7233695
• LogD (pH = 7.4): 2.675007
• Log P: 2.9914773
• Molar Refractivity: 98.6536 cm^3
• Polarizability: 38.11259 Å^3
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.18
• LOG S: -2.99
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 5