ChemSpider 2D Image | N,N'-[5-(Benzyloxy)-3-(3,3-dimethoxy-2-oxopropyl)-2-(2,2-dimethyl-1,3-dioxan-5-yl)-1,4-phenylene]dibenzamide | C38H40N2O8

N,N'-[5-(Benzyloxy)-3-(3,3-dimethoxy-2-oxopropyl)-2-(2,2-dimethyl-1,3-dioxan-5-yl)-1,4-phenylene]dibenzamide

  • Molecular FormulaC38H40N2O8
  • Average mass652.733 Da
  • Monoisotopic mass652.278442 Da
  • ChemSpider ID9083703

More details:

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

Benzamide, N,N'-[3-(3,3-dimethoxy-2-oxopropyl)-2-(2,2-dimethyl-1,3-dioxan-5-yl)-5-(phenylmethoxy)-1,4-phenylene]bis- [ACD/Index Name]
N,N'-[5-(Benzyloxy)-3-(3,3-dimethoxy-2-oxopropyl)-2-(2,2-dimethyl-1,3-dioxan-5-yl)-1,4-phenylen]dibenzamid [German] [ACD/IUPAC Name]
N,N'-[5-(Benzyloxy)-3-(3,3-dimethoxy-2-oxopropyl)-2-(2,2-dimethyl-1,3-dioxan-5-yl)-1,4-phenylene]dibenzamide [ACD/IUPAC Name]
N,N'-[5-(Benzyloxy)-3-(3,3-diméthoxy-2-oxopropyl)-2-(2,2-diméthyl-1,3-dioxan-5-yl)-1,4-phénylène]dibenzamide [French] [ACD/IUPAC 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: 670.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.5±3.0 kJ/mol
Flash Point: 359.1±31.5 °C
Index of Refraction: 1.611
Molar Refractivity: 182.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 4.70
ACD/BCF (pH 5.5): 2209.55
ACD/KOC (pH 5.5): 8616.72
ACD/LogD (pH 7.4): 4.70
ACD/BCF (pH 7.4): 2211.40
ACD/KOC (pH 7.4): 8623.93
Polar Surface Area: 121 Å2
Polarizability: 72.4±0.5 10-24cm3
Surface Tension: 51.8±3.0 dyne/cm
Molar Volume: 526.1±3.0 cm3

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