2-(dimethylamino)-2-(4-methylphenyl)-N-[3-(pyridin-2-yl)propyl]acetamide

• ChemBase ID: 736719
• Molecular Formular: C19H25N3O
• Molecular Mass: 311.4213
• Monoisotopic Mass: 311.19976244
• SMILES: C(=O)(C(c1ccc(cc1)C)N(C)C)NCCCc1ncccc1
• Canonical SMILES: CN(C(c1ccc(cc1)C)C(=O)NCCCc1ccccn1)C
• InChI: InChI=1S/C19H25N3O/c1-15-9-11-16(12-10-15)18(22(2)3)19(23)21-14-6-8-17-7-4-5-13-20-17/h4-5,7,9-13,18H,6,8,14H2,1-3H3,(H,21,23)
• InChIKey: KZMMQWFNNRCXIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)-2-(4-methylphenyl)-N-[3-(pyridin-2-yl)propyl]acetamide
• IUPAC Traditional name: 2-(dimethylamino)-2-(4-methylphenyl)-N-[3-(pyridin-2-yl)propyl]acetamide
• Synonyms: 2-(dimethylamino)-2-(4-methylphenyl)-N-[3-(2-pyridinyl)propyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.475698
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.7255248
• LogD (pH = 7.4): 2.3568568
• Log P: 2.6486835
• Molar Refractivity: 93.5786 cm^3
• Polarizability: 36.427715 Å^3
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.59
• LOG S: -2.38
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 7