ChemSpider 2D Image | Diethyl {[(2E)-3-(4-isopropoxy-3-methoxyphenyl)-2-propenoyl]amino}malonate | C20H27NO7

Diethyl {[(2E)-3-(4-isopropoxy-3-methoxyphenyl)-2-propenoyl]amino}malonate

  • Molecular FormulaC20H27NO7
  • Average mass393.431 Da
  • Monoisotopic mass393.178741 Da
  • ChemSpider ID22847148

  • Double-bond stereo - Double-bond stereo

More details:

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

{[(2E)-3-(4-Isopropoxy-3-méthoxyphényl)-2-propenoyl]amino}malonate de diéthyle [French] [ACD/IUPAC Name]
Diethyl {[(2E)-3-(4-isopropoxy-3-methoxyphenyl)-2-propenoyl]amino}malonate [ACD/IUPAC Name]
Diethyl-{[(2E)-3-(4-isopropoxy-3-methoxyphenyl)-2-propenoyl]amino}malonat [German] [ACD/IUPAC Name]
Propanedioic acid, 2-[[(2E)-3-[3-methoxy-4-(1-methylethoxy)phenyl]-1-oxo-2-propen-1-yl]amino]-, diethyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 565.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.9±3.0 kJ/mol
Flash Point: 295.5±30.1 °C
Index of Refraction: 1.524
Molar Refractivity: 104.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 81.41
ACD/KOC (pH 5.5): 811.44
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 81.40
ACD/KOC (pH 7.4): 811.35
Polar Surface Area: 100 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 40.4±3.0 dyne/cm
Molar Volume: 340.6±3.0 cm3

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