ChemSpider 2D Image | 3-[4-(2-{(E)-[(4,4-Dimethyl-2,6-dioxocyclohexyl)methylene]amino}ethyl)-1-piperazinyl]-1-[4-(hexyloxy)phenyl]-2,5-pyrrolidinedione | C31H44N4O5

3-[4-(2-{(E)-[(4,4-Dimethyl-2,6-dioxocyclohexyl)methylene]amino}ethyl)-1-piperazinyl]-1-[4-(hexyloxy)phenyl]-2,5-pyrrolidinedione

  • Molecular FormulaC31H44N4O5
  • Average mass552.705 Da
  • Monoisotopic mass552.331177 Da
  • ChemSpider ID2602802

  • Double-bond stereo - Double-bond stereo

More details:

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

2,5-Pyrrolidinedione, 3-[4-[2-[[(1E)-(4,4-dimethyl-2,6-dioxocyclohexyl)methylene]amino]ethyl]-1-piperazinyl]-1-[4-(hexyloxy)phenyl]- [ACD/Index Name]
3-[4-(2-{(E)-[(4,4-Dimethyl-2,6-dioxocyclohexyl)methylen]amino}ethyl)-1-piperazinyl]-1-[4-(hexyloxy)phenyl]-2,5-pyrrolidindion [German] [ACD/IUPAC Name]
3-[4-(2-{(E)-[(4,4-Dimethyl-2,6-dioxocyclohexyl)methylene]amino}ethyl)-1-piperazinyl]-1-[4-(hexyloxy)phenyl]-2,5-pyrrolidinedione [ACD/IUPAC Name]
3-[4-(2-{(E)-[(4,4-Diméthyl-2,6-dioxocyclohexyl)méthylène]amino}éthyl)-1-pipérazinyl]-1-[4-(hexyloxy)phényl]-2,5-pyrrolidinedione [French] [ACD/IUPAC Name]
3-[4-(2-{[(E)-(4,4-Dimethyl-2,6-dioxocyclohexyl)methylene]amino}ethyl)piperazin-1-yl]-1-[4-(hexyloxy)phenyl]pyrrolidine-2,5-dione
(E)-3-(4-(2-(((4,4-dimethyl-2,6-dioxocyclohexyl)methylene)amino)ethyl)piperazin-1-yl)-1-(4-(hexyloxy)phenyl)pyrrolidine-2,5-dione
3-[4-(2-{[(1E)-(4,4-dimethyl-2,6-dioxocyclohexyl)methylene]amino}ethyl)piperazin-1-yl]-1-[4-(hexyloxy)phenyl]pyrrolidine-2,5-dione
3-[4-(2-{[(E)-(4,4-dimethyl-2,6-dioxocyclohexyl)methylidene]amino}ethyl)piperazin-1-yl]-1-[4-(hexyloxy)phenyl]pyrrolidine-2,5-dione

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 758.7±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 110.5±3.0 kJ/mol
    Flash Point: 412.6±32.9 °C
    Index of Refraction: 1.601
    Molar Refractivity: 154.9±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 0
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 1
    ACD/LogP: 2.56
    ACD/LogD (pH 5.5): 0.26
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.41
    ACD/LogD (pH 7.4): 0.76
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 4.47
    Polar Surface Area: 100 Å2
    Polarizability: 61.4±0.5 10-24cm3
    Surface Tension: 47.7±7.0 dyne/cm
    Molar Volume: 452.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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