2-(3-benzyl-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide

• ChemBase ID: 652454
• Molecular Formular: C24H24N2O3
• Molecular Mass: 388.45896
• Monoisotopic Mass: 388.17869264
• SMILES: C1(C(=O)N(c2c1cccc2)C)(CC(=O)NCc1oc(cc1)C)Cc1ccccc1
• Canonical SMILES: O=C(CC1(Cc2ccccc2)C(=O)N(c2c1cccc2)C)NCc1ccc(o1)C
• InChI: InChI=1S/C24H24N2O3/c1-17-12-13-19(29-17)16-25-22(27)15-24(14-18-8-4-3-5-9-18)20-10-6-7-11-21(20)26(2)23(24)28/h3-13H,14-16H2,1-2H3,(H,25,27)
• InChIKey: FOZXREGJSUYSEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-benzyl-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide
• IUPAC Traditional name: 2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide
• Synonyms: 2-(3-benzyl-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-[(5-methyl-2-furyl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.861077
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.138831
• LogD (pH = 7.4): 3.1388307
• Log P: 3.138831
• Molar Refractivity: 111.6108 cm^3
• Polarizability: 42.70439 Å^3
• Polar Surface Area: 62.55 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.69
• LOG S: -5.18
• Polar Surface Area: 62.55 Å^2
• Rotatable Bonds: 6