ChemSpider 2D Image | 2-(1-Isobutyl-2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-3-yl)-N-[(3-methyl-1H-1,2,4-triazol-5-yl)methyl]acetamide | C21H31N5O2

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

  • Molecular FormulaC21H31N5O2
  • Average mass385.503 Da
  • Monoisotopic mass385.247772 Da
  • ChemSpider ID22186237

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1H-Indole-3-acetamide, 4,5,6,7-tetrahydro-2,6,6-trimethyl-1-(2-methylpropyl)-N-[(5-methyl-4H-1,2,4-triazol-3-yl)methyl]-4-oxo- [ACD/Index Name]
2-(1-Isobutyl-2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-3-yl)-N-[(3-methyl-1H-1,2,4-triazol-5-yl)methyl]acetamid [German] [ACD/IUPAC Name]
2-(1-Isobutyl-2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-3-yl)-N-[(3-methyl-1H-1,2,4-triazol-5-yl)methyl]acetamide [ACD/IUPAC Name]
2-(1-Isobutyl-2,6,6-triméthyl-4-oxo-4,5,6,7-tétrahydro-1H-indol-3-yl)-N-[(3-méthyl-1H-1,2,4-triazol-5-yl)méthyl]acétamide [French] [ACD/IUPAC Name]
2-(1-isobutyl-2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-3-yl)-N-[(5-methyl-4H-1,2,4-triazol-3-yl)methyl]acetamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 679.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.7±3.0 kJ/mol
Flash Point: 364.5±31.5 °C
Index of Refraction: 1.622
Molar Refractivity: 109.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 103.28
ACD/KOC (pH 5.5): 961.28
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 103.32
ACD/KOC (pH 7.4): 961.63
Polar Surface Area: 93 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 43.7±7.0 dyne/cm
Molar Volume: 309.3±7.0 cm3

Click to predict properties on the Chemicalize site


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