4-[(dipropylamino)methyl]-N-[1-(3-methylpyridin-2-yl)propan-2-yl]benzamide

• ChemBase ID: 524743
• Molecular Formular: C23H33N3O
• Molecular Mass: 367.52762
• Monoisotopic Mass: 367.26236269
• SMILES: C(=O)(NC(Cc1ncccc1C)C)c1ccc(CN(CCC)CCC)cc1
• Canonical SMILES: CCCN(Cc1ccc(cc1)C(=O)NC(Cc1ncccc1C)C)CCC
• InChI: InChI=1S/C23H33N3O/c1-5-14-26(15-6-2)17-20-9-11-21(12-10-20)23(27)25-19(4)16-22-18(3)8-7-13-24-22/h7-13,19H,5-6,14-17H2,1-4H3,(H,25,27)
• InChIKey: AELCLFGMNQTIGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(dipropylamino)methyl]-N-[1-(3-methylpyridin-2-yl)propan-2-yl]benzamide
• IUPAC Traditional name: 4-[(dipropylamino)methyl]-N-[1-(3-methylpyridin-2-yl)propan-2-yl]benzamide
• Synonyms: 4-[(dipropylamino)methyl]-N-[1-methyl-2-(3-methylpyridin-2-yl)ethyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.02548
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.9503164
• LogD (pH = 7.4): 2.2189257
• Log P: 4.5029016
• Molar Refractivity: 113.2139 cm^3
• Polarizability: 43.58559 Å^3
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.17
• LOG S: -4.14
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 10