N-{3-[(3,5-dimethoxyphenyl)(hydroxy)methyl]-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl}acetamide

• ChemBase ID: 223633
• Molecular Formular: C20H22N2O5
• Molecular Mass: 370.39908
• Monoisotopic Mass: 370.15287181
• SMILES: C1(C(=O)N(c2c1cccc2)C)(C(c1cc(cc(c1)OC)OC)O)NC(=O)C
• Canonical SMILES: COc1cc(cc(c1)OC)C(C1(NC(=O)C)c2ccccc2N(C1=O)C)O
• InChI: InChI=1S/C20H22N2O5/c1-12(23)21-20(16-7-5-6-8-17(16)22(2)19(20)25)18(24)13-9-14(26-3)11-15(10-13)27-4/h5-11,18,24H,1-4H3,(H,21,23)
• InChIKey: QXTVBQDGUVCAMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{3-[(3,5-dimethoxyphenyl)(hydroxy)methyl]-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl}acetamide
• IUPAC Traditional name: N-{3-[(3,5-dimethoxyphenyl)(hydroxy)methyl]-1-methyl-2-oxoindol-3-yl}acetamide

Database IDs

• PubChem SID: 164279543
• PubChem CID: 49652375

CALCULATED PROPERTIES

• Acid pKa: 11.415144
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.7876757
• LogD (pH = 7.4): 0.78763896
• Log P: 0.78767616
• Molar Refractivity: 98.6065 cm^3
• Polarizability: 38.318474 Å^3
• Polar Surface Area: 88.1 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds