2-(3-benzyl-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-(cyclopent-3-en-1-yl)acetamide

• ChemBase ID: 540120
• Molecular Formular: C23H24N2O2
• Molecular Mass: 360.44886
• Monoisotopic Mass: 360.18377802
• SMILES: C1(C(=O)N(c2c1cccc2)C)(CC(=O)NC1CC=CC1)Cc1ccccc1
• Canonical SMILES: O=C(CC1(Cc2ccccc2)C(=O)N(c2c1cccc2)C)NC1CC=CC1
• InChI: InChI=1S/C23H24N2O2/c1-25-20-14-8-7-13-19(20)23(22(25)27,15-17-9-3-2-4-10-17)16-21(26)24-18-11-5-6-12-18/h2-10,13-14,18H,11-12,15-16H2,1H3,(H,24,26)
• InChIKey: GRPQIIGLOMPSJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.6145315
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.14733
• LogD (pH = 7.4): 3.14733
• Log P: 3.14733
• Molar Refractivity: 106.9874 cm^3
• Polarizability: 40.888363 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.36
• LOG S: -4.7
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 5