N-[(3-methoxyphenyl)methyl]-2-(6-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-(prop-2-en-1-yl)acetamide

• ChemBase ID: 406062
• Molecular Formular: C22H24N2O3
• Molecular Mass: 364.43756
• Monoisotopic Mass: 364.17869264
• SMILES: C1(=O)Nc2c(C1CC(=O)N(Cc1cc(OC)ccc1)CC=C)ccc(c2)C
• Canonical SMILES: C=CCN(C(=O)CC1C(=O)Nc2c1ccc(c2)C)Cc1cccc(c1)OC
• InChI: InChI=1S/C22H24N2O3/c1-4-10-24(14-16-6-5-7-17(12-16)27-3)21(25)13-19-18-9-8-15(2)11-20(18)23-22(19)26/h4-9,11-12,19H,1,10,13-14H2,2-3H3,(H,23,26)
• InChIKey: PGFWKOYLVBBGPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-methoxyphenyl)methyl]-2-(6-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-(prop-2-en-1-yl)acetamide
• IUPAC Traditional name: N-[(3-methoxyphenyl)methyl]-2-(6-methyl-2-oxo-1,3-dihydroindol-3-yl)-N-(prop-2-en-1-yl)acetamide
• Synonyms: N-allyl-N-(3-methoxybenzyl)-2-(6-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.795135
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.1912458
• LogD (pH = 7.4): 3.1912441
• Log P: 3.191246
• Molar Refractivity: 107.3211 cm^3
• Polarizability: 40.36411 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.2
• LOG S: -4.59
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 7