ChemSpider 2D Image | N-{2-[(1,3-Benzodioxol-5-ylmethyl)(2-furylmethyl)amino]-2-oxoethyl}-N-[3-(4-morpholinyl)propyl]nonanamide | C31H45N3O6

N-{2-[(1,3-Benzodioxol-5-ylmethyl)(2-furylmethyl)amino]-2-oxoethyl}-N-[3-(4-morpholinyl)propyl]nonanamide

  • Molecular FormulaC31H45N3O6
  • Average mass555.706 Da
  • Monoisotopic mass555.330811 Da
  • ChemSpider ID4389926

More details:

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

N-{2-[(1,3-Benzodioxol-5-ylmethyl)(2-furylmethyl)amino]-2-oxoethyl}-N-[3-(4-morpholinyl)propyl]nonanamid [German] [ACD/IUPAC Name]
N-{2-[(1,3-Benzodioxol-5-ylmethyl)(2-furylmethyl)amino]-2-oxoethyl}-N-[3-(4-morpholinyl)propyl]nonanamide [ACD/IUPAC Name]
N-{2-[(1,3-Benzodioxol-5-ylméthyl)(2-furylméthyl)amino]-2-oxoéthyl}-N-[3-(4-morpholinyl)propyl]nonanamide [French] [ACD/IUPAC Name]
Nonanamide, N-[2-[(1,3-benzodioxol-5-ylmethyl)(2-furanylmethyl)amino]-2-oxoethyl]-N-[3-(4-morpholinyl)propyl]- [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: 703.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.0±3.0 kJ/mol
Flash Point: 379.5±32.9 °C
Index of Refraction: 1.547
Molar Refractivity: 152.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 1
ACD/LogP: 4.85
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 58.61
ACD/KOC (pH 5.5): 228.66
ACD/LogD (pH 7.4): 4.53
ACD/BCF (pH 7.4): 1496.55
ACD/KOC (pH 7.4): 5838.81
Polar Surface Area: 85 Å2
Polarizability: 60.6±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 481.3±3.0 cm3

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