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

• ChemBase ID: 573899
• Molecular Formular: C21H24N2O2
• Molecular Mass: 336.42746
• Monoisotopic Mass: 336.18377802
• SMILES: C1(C(=O)N(c2c1cccc2)C)(CCC(=O)NCC)Cc1ccccc1
• Canonical SMILES: CCNC(=O)CCC1(Cc2ccccc2)C(=O)N(c2c1cccc2)C
• InChI: InChI=1S/C21H24N2O2/c1-3-22-19(24)13-14-21(15-16-9-5-4-6-10-16)17-11-7-8-12-18(17)23(2)20(21)25/h4-12H,3,13-15H2,1-2H3,(H,22,24)
• InChIKey: SPAHZNBXEGDNDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.830291
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.9559264
• LogD (pH = 7.4): 2.9559264
• Log P: 2.9559264
• Molar Refractivity: 98.8072 cm^3
• Polarizability: 38.172222 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.06
• LOG S: -4.27
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 6