ChemSpider 2D Image | 3,3-Dimethyl-N-(2-{1-[4-(2-methyl-2-propanyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl}-2-oxoethyl)-N-propylbutanamide | C28H41N3O2

3,3-Dimethyl-N-(2-{1-[4-(2-methyl-2-propanyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl}-2-oxoethyl)-N-propylbutanamide

  • Molecular FormulaC28H41N3O2
  • Average mass451.644 Da
  • Monoisotopic mass451.319885 Da
  • ChemSpider ID22583826

More details:

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

3,3-Dimethyl-N-(2-{1-[4-(2-methyl-2-propanyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl}-2-oxoethyl)-N-propylbutanamid [German] [ACD/IUPAC Name]
3,3-Dimethyl-N-(2-{1-[4-(2-methyl-2-propanyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl}-2-oxoethyl)-N-propylbutanamide [ACD/IUPAC Name]
3,3-Diméthyl-N-(2-{1-[4-(2-méthyl-2-propanyl)phényl]-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl}-2-oxoéthyl)-N-propylbutanamide [French] [ACD/IUPAC Name]
Butanamide, N-[2-[1-[4-(1,1-dimethylethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-2-oxoethyl]-3,3-dimethyl-N-propyl- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 609.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.5±3.0 kJ/mol
Flash Point: 322.3±31.5 °C
Index of Refraction: 1.553
Molar Refractivity: 137.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.57
ACD/LogD (pH 5.5): 5.91
ACD/BCF (pH 5.5): 18198.02
ACD/KOC (pH 5.5): 38986.29
ACD/LogD (pH 7.4): 5.91
ACD/BCF (pH 7.4): 18198.04
ACD/KOC (pH 7.4): 38986.33
Polar Surface Area: 46 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 37.6±7.0 dyne/cm
Molar Volume: 429.0±7.0 cm3

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