ChemSpider 2D Image | (2R)-N-(3-{[2-(1,3-Benzodioxol-5-yl)ethyl]amino}-3-oxopropyl)-2,4-dihydroxy-3,3-dimethylbutanamide | C18H26N2O6

(2R)-N-(3-{[2-(1,3-Benzodioxol-5-yl)ethyl]amino}-3-oxopropyl)-2,4-dihydroxy-3,3-dimethylbutanamide

  • Molecular FormulaC18H26N2O6
  • Average mass366.409 Da
  • Monoisotopic mass366.179077 Da
  • ChemSpider ID35034366
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2R)-N-(3-{[2-(1,3-Benzodioxol-5-yl)ethyl]amino}-3-oxopropyl)-2,4-dihydroxy-3,3-dimethylbutanamid [German] [ACD/IUPAC Name]
(2R)-N-(3-{[2-(1,3-Benzodioxol-5-yl)ethyl]amino}-3-oxopropyl)-2,4-dihydroxy-3,3-dimethylbutanamide [ACD/IUPAC Name]
(2R)-N-(3-{[2-(1,3-Benzodioxol-5-yl)éthyl]amino}-3-oxopropyl)-2,4-dihydroxy-3,3-diméthylbutanamide [French] [ACD/IUPAC Name]
(R)-N-(3-((2-(Benzo[d][1,3]dioxol-5-Yl)ethyl)amino)-3-Oxopropyl)-2,4-Dihydroxy-3,3-Dimethylbutanamide
Butanamide, N-[3-[[2-(1,3-benzodioxol-5-yl)ethyl]amino]-3-oxopropyl]-2,4-dihydroxy-3,3-dimethyl-, (2R)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 718.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.3±3.0 kJ/mol
Flash Point: 388.6±32.9 °C
Index of Refraction: 1.563
Molar Refractivity: 93.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 0.42
ACD/LogD (pH 5.5): 0.40
ACD/BCF (pH 5.5): 1.19
ACD/KOC (pH 5.5): 39.48
ACD/LogD (pH 7.4): 0.40
ACD/BCF (pH 7.4): 1.19
ACD/KOC (pH 7.4): 39.48
Polar Surface Area: 117 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 55.4±3.0 dyne/cm
Molar Volume: 289.3±3.0 cm3

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