2-(3-benzyl-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-[3-(dimethylamino)propyl]-N-methylacetamide

• ChemBase ID: 484549
• Molecular Formular: C24H31N3O2
• Molecular Mass: 393.52184
• Monoisotopic Mass: 393.24162725
• SMILES: C1(C(=O)N(c2c1cccc2)C)(CC(=O)N(CCCN(C)C)C)Cc1ccccc1
• Canonical SMILES: CN(CCCN(C(=O)CC1(Cc2ccccc2)C(=O)N(c2c1cccc2)C)C)C
• InChI: InChI=1S/C24H31N3O2/c1-25(2)15-10-16-26(3)22(28)18-24(17-19-11-6-5-7-12-19)20-13-8-9-14-21(20)27(4)23(24)29/h5-9,11-14H,10,15-18H2,1-4H3
• InChIKey: GKWCYEQYQKXALS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-benzyl-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-[3-(dimethylamino)propyl]-N-methylacetamide
• IUPAC Traditional name: 2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-[3-(dimethylamino)propyl]-N-methylacetamide
• Synonyms: 2-(3-benzyl-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-[3-(dimethylamino)propyl]-N-methylacetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.86689526
• LogD (pH = 7.4): 0.56454116
• Log P: 2.4568303
• Molar Refractivity: 117.2388 cm^3
• Polarizability: 45.229267 Å^3
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.95
• LOG S: -4.59
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 8