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

• ChemBase ID: 385986
• Molecular Formular: C22H26N2O3
• Molecular Mass: 366.45344
• Monoisotopic Mass: 366.1943427
• SMILES: C1(C(=O)N(c2c1cccc2)C)(CCC(=O)NCCCO)Cc1ccccc1
• Canonical SMILES: OCCCNC(=O)CCC1(Cc2ccccc2)C(=O)N(c2c1cccc2)C
• InChI: InChI=1S/C22H26N2O3/c1-24-19-11-6-5-10-18(19)22(21(24)27,16-17-8-3-2-4-9-17)13-12-20(26)23-14-7-15-25/h2-6,8-11,25H,7,12-16H2,1H3,(H,23,26)
• InChIKey: QFHRMFAXZVQJSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.534796
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.9689761
• LogD (pH = 7.4): 1.9689763
• Log P: 1.9689763
• Molar Refractivity: 105.2163 cm^3
• Polarizability: 40.627415 Å^3
• Polar Surface Area: 69.64 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.26
• LOG S: -3.8
• Polar Surface Area: 69.64 Å^2
• Rotatable Bonds: 8