N-(2-hydroxyethyl)-2-[2,6,6-trimethyl-1-(2-methylpropyl)-4-oxo-4,5,6,7-tetrahydro-1H-indol-3-yl]acetamide

• ChemBase ID: 562916
• Molecular Formular: C19H30N2O3
• Molecular Mass: 334.4531
• Monoisotopic Mass: 334.22564283
• SMILES: n1(c2c(c(c1C)CC(=O)NCCO)C(=O)CC(C2)(C)C)CC(C)C
• Canonical SMILES: OCCNC(=O)Cc1c(C)n(c2c1C(=O)CC(C2)(C)C)CC(C)C
• InChI: InChI=1S/C19H30N2O3/c1-12(2)11-21-13(3)14(8-17(24)20-6-7-22)18-15(21)9-19(4,5)10-16(18)23/h12,22H,6-11H2,1-5H3,(H,20,24)
• InChIKey: PGYGQTVKPWQQOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-hydroxyethyl)-2-[2,6,6-trimethyl-1-(2-methylpropyl)-4-oxo-4,5,6,7-tetrahydro-1H-indol-3-yl]acetamide
• IUPAC Traditional name: N-(2-hydroxyethyl)-2-[2,6,6-trimethyl-1-(2-methylpropyl)-4-oxo-5,7-dihydroindol-3-yl]acetamide
• Synonyms: N-(2-hydroxyethyl)-2-(1-isobutyl-2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.348982
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.7440889
• LogD (pH = 7.4): 1.744089
• Log P: 1.744089
• Molar Refractivity: 96.2501 cm^3
• Polarizability: 36.655605 Å^3
• Polar Surface Area: 71.33 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.49
• LOG S: -4.09
• Polar Surface Area: 71.33 Å^2
• Rotatable Bonds: 5