ChemSpider 2D Image | N-(2-{(1,3-Benzodioxol-5-ylmethyl)[(5-methyl-2-furyl)methyl]amino}-2-oxoethyl)-3,5,5-trimethyl-N-[2-(4-morpholinyl)ethyl]hexanamide | C31H45N3O6

N-(2-{(1,3-Benzodioxol-5-ylmethyl)[(5-methyl-2-furyl)methyl]amino}-2-oxoethyl)-3,5,5-trimethyl-N-[2-(4-morpholinyl)ethyl]hexanamide

  • Molecular FormulaC31H45N3O6
  • Average mass555.706 Da
  • Monoisotopic mass555.330811 Da
  • ChemSpider ID3724857

More details:

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

Hexanamide, N-[2-[(1,3-benzodioxol-5-ylmethyl)[(5-methyl-2-furanyl)methyl]amino]-2-oxoethyl]-3,5,5-trimethyl-N-[2-(4-morpholinyl)ethyl]- [ACD/Index Name]
N-(2-{(1,3-Benzodioxol-5-ylmethyl)[(5-methyl-2-furyl)methyl]amino}-2-oxoethyl)-3,5,5-trimethyl-N-[2-(4-morpholinyl)ethyl]hexanamid [German] [ACD/IUPAC Name]
N-(2-{(1,3-Benzodioxol-5-ylmethyl)[(5-methyl-2-furyl)methyl]amino}-2-oxoethyl)-3,5,5-trimethyl-N-[2-(4-morpholinyl)ethyl]hexanamide [ACD/IUPAC Name]
N-(2-{(1,3-Benzodioxol-5-ylméthyl)[(5-méthyl-2-furyl)méthyl]amino}-2-oxoéthyl)-3,5,5-triméthyl-N-[2-(4-morpholinyl)éthyl]hexanamide [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: 688.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.9±3.0 kJ/mol
Flash Point: 369.9±31.5 °C
Index of Refraction: 1.548
Molar Refractivity: 152.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 4.84
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 120.78
ACD/KOC (pH 5.5): 627.67
ACD/LogD (pH 7.4): 4.10
ACD/BCF (pH 7.4): 751.38
ACD/KOC (pH 7.4): 3904.82
Polar Surface Area: 85 Å2
Polarizability: 60.6±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 481.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement