ChemSpider 2D Image | (3R)-3,4-Dihydroxy-2-methylene-N-(4-{[(2E)-3-phenyl-2-propenoyl]amino}butyl)butanamide | C18H24N2O4

(3R)-3,4-Dihydroxy-2-methylene-N-(4-{[(2E)-3-phenyl-2-propenoyl]amino}butyl)butanamide

  • Molecular FormulaC18H24N2O4
  • Average mass332.394 Da
  • Monoisotopic mass332.173615 Da
  • ChemSpider ID23310894

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(3R)-3,4-Dihydroxy-2-methylene-N-(4-{[(2E)-3-phenyl-2-propenoyl]amino}butyl)butanamide [ACD/IUPAC Name]
(3R)-3,4-Dihydroxy-2-méthylène-N-(4-{[(2E)-3-phényl-2-propenoyl]amino}butyl)butanamide [French] [ACD/IUPAC Name]
(3R)-3,4-Dihydroxy-2-methylen-N-(4-{[(2E)-3-phenyl-2-propenoyl]amino}butyl)butanamid [German] [ACD/IUPAC Name]
(3R)-3,4-dihydroxy-2-methylidene-N-(4-{[(2E)-3-phenylprop-2-enoyl]amino}butyl)butanamide
Butanamide, 3,4-dihydroxy-2-methylene-N-[4-[[(2E)-1-oxo-3-phenyl-2-propen-1-yl]amino]butyl]-, (3R)- [ACD/Index Name]
grandiamide D

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

Density: 1.2±0.1 g/cm3
Boiling Point: 698.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.3±3.0 kJ/mol
Flash Point: 376.0±31.5 °C
Index of Refraction: 1.581
Molar Refractivity: 93.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 0.68
ACD/LogD (pH 5.5): 0.47
ACD/BCF (pH 5.5): 1.34
ACD/KOC (pH 5.5): 42.80
ACD/LogD (pH 7.4): 0.47
ACD/BCF (pH 7.4): 1.34
ACD/KOC (pH 7.4): 42.80
Polar Surface Area: 99 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 281.1±3.0 cm3

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