ChemSpider 2D Image | N-[3-(3-{[4-(2,3-Dimethylphenyl)-1-piperazinyl]methyl}phenoxy)propyl]-2-ethylbutanamide | C28H41N3O2

N-[3-(3-{[4-(2,3-Dimethylphenyl)-1-piperazinyl]methyl}phenoxy)propyl]-2-ethylbutanamide

  • Molecular FormulaC28H41N3O2
  • Average mass451.644 Da
  • Monoisotopic mass451.319885 Da
  • ChemSpider ID22194627

More details:

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

Butanamide, N-[3-[3-[[4-(2,3-dimethylphenyl)-1-piperazinyl]methyl]phenoxy]propyl]-2-ethyl- [ACD/Index Name]
N-[3-(3-{[4-(2,3-Dimethylphenyl)-1-piperazinyl]methyl}phenoxy)propyl]-2-ethylbutanamid [German] [ACD/IUPAC Name]
N-[3-(3-{[4-(2,3-Dimethylphenyl)-1-piperazinyl]methyl}phenoxy)propyl]-2-ethylbutanamide [ACD/IUPAC Name]
N-[3-(3-{[4-(2,3-Diméthylphényl)-1-pipérazinyl]méthyl}phénoxy)propyl]-2-éthylbutanamide [French] [ACD/IUPAC 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: 643.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 342.8±31.5 °C
Index of Refraction: 1.552
Molar Refractivity: 136.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.30
ACD/LogD (pH 5.5): 3.75
ACD/BCF (pH 5.5): 198.26
ACD/KOC (pH 5.5): 636.97
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 3418.10
ACD/KOC (pH 7.4): 10981.53
Polar Surface Area: 45 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 426.0±3.0 cm3

Click to predict properties on the Chemicalize site


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