2-(3-benzyl-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-cyclopropyl-N-ethylacetamide

• ChemBase ID: 761719
• Molecular Formular: C23H26N2O2
• Molecular Mass: 362.46474
• Monoisotopic Mass: 362.19942808
• SMILES: C1(C(=O)N(c2c1cccc2)C)(CC(=O)N(C1CC1)CC)Cc1ccccc1
• Canonical SMILES: CCN(C(=O)CC1(Cc2ccccc2)C(=O)N(c2c1cccc2)C)C1CC1
• InChI: InChI=1S/C23H26N2O2/c1-3-25(18-13-14-18)21(26)16-23(15-17-9-5-4-6-10-17)19-11-7-8-12-20(19)24(2)22(23)27/h4-12,18H,3,13-16H2,1-2H3
• InChIKey: CGHJRZUKDVHCET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-benzyl-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-cyclopropyl-N-ethylacetamide
• IUPAC Traditional name: 2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-cyclopropyl-N-ethylacetamide
• Synonyms: 2-(3-benzyl-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-cyclopropyl-N-ethylacetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.2005982
• LogD (pH = 7.4): 3.2005985
• Log P: 3.2005985
• Molar Refractivity: 106.3141 cm^3
• Polarizability: 41.127182 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.47
• LOG S: -4.81
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 6