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

• ChemBase ID: 649351
• Molecular Formular: C19H25N3O
• Molecular Mass: 311.4213
• Monoisotopic Mass: 311.19976244
• SMILES: c1(C(C(=O)NCCCc2ncccc2)N(C)C)cc(ccc1)C
• Canonical SMILES: Cc1cccc(c1)C(C(=O)NCCCc1ccccn1)N(C)C
• InChI: InChI=1S/C19H25N3O/c1-15-8-6-9-16(14-15)18(22(2)3)19(23)21-13-7-11-17-10-4-5-12-20-17/h4-6,8-10,12,14,18H,7,11,13H2,1-3H3,(H,21,23)
• InChIKey: YUOCSTRZNVXNPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.47607
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.7446664
• LogD (pH = 7.4): 2.3664432
• Log P: 2.6486835
• Molar Refractivity: 93.5786 cm^3
• Polarizability: 36.42776 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