N-(6-methoxy-2-oxo-2,3-dihydro-1H-indol-3-yl)-2-[(prop-2-en-1-yl)amino]benzamide

• ChemBase ID: 624224
• Molecular Formular: C19H19N3O3
• Molecular Mass: 337.37246
• Monoisotopic Mass: 337.14264148
• SMILES: C1(=O)Nc2c(C1NC(=O)c1c(NCC=C)cccc1)ccc(c2)OC
• Canonical SMILES: C=CCNc1ccccc1C(=O)NC1C(=O)Nc2c1ccc(c2)OC
• InChI: InChI=1S/C19H19N3O3/c1-3-10-20-15-7-5-4-6-14(15)18(23)22-17-13-9-8-12(25-2)11-16(13)21-19(17)24/h3-9,11,17,20H,1,10H2,2H3,(H,21,24)(H,22,23)
• InChIKey: MRUTYHSVLYAFEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(6-methoxy-2-oxo-2,3-dihydro-1H-indol-3-yl)-2-[(prop-2-en-1-yl)amino]benzamide
• IUPAC Traditional name: N-(6-methoxy-2-oxo-1,3-dihydroindol-3-yl)-2-(prop-2-en-1-ylamino)benzamide
• Synonyms: 2-(allylamino)-N-(6-methoxy-2-oxo-2,3-dihydro-1H-indol-3-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.386959
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 2.618835
• LogD (pH = 7.4): 2.6193764
• Log P: 2.6193876
• Molar Refractivity: 98.5146 cm^3
• Polarizability: 35.845325 Å^3
• Polar Surface Area: 79.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 2.68
• LOG S: -3.95
• Polar Surface Area: 79.46 Å^2
• Rotatable Bonds: 6