ChemSpider 2D Image | N-{(1R)-1-(2-Methoxy-1-naphthyl)-2-oxo-2-[(2,4,4-trimethyl-2-pentanyl)amino]ethyl}-N-[(5-methyl-2-furyl)methyl]hexanamide | C33H46N2O4

N-{(1R)-1-(2-Methoxy-1-naphthyl)-2-oxo-2-[(2,4,4-trimethyl-2-pentanyl)amino]ethyl}-N-[(5-methyl-2-furyl)methyl]hexanamide

  • Molecular FormulaC33H46N2O4
  • Average mass534.729 Da
  • Monoisotopic mass534.345764 Da
  • ChemSpider ID62315666

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Naphthaleneacetamide, 2-methoxy-α-[[(5-methyl-2-furanyl)methyl](1-oxohexyl)amino]-N-(1,1,3,3-tetramethylbutyl)-, (αR)- [ACD/Index Name]
N-{(1R)-1-(2-Methoxy-1-naphthyl)-2-oxo-2-[(2,4,4-trimethyl-2-pentanyl)amino]ethyl}-N-[(5-methyl-2-furyl)methyl]hexanamid [German] [ACD/IUPAC Name]
N-{(1R)-1-(2-Methoxy-1-naphthyl)-2-oxo-2-[(2,4,4-trimethyl-2-pentanyl)amino]ethyl}-N-[(5-methyl-2-furyl)methyl]hexanamide [ACD/IUPAC Name]
N-{(1R)-1-(2-Méthoxy-1-naphtyl)-2-oxo-2-[(2,4,4-triméthyl-2-pentanyl)amino]éthyl}-N-[(5-méthyl-2-furyl)méthyl]hexanamide [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 704.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.1±3.0 kJ/mol
Flash Point: 379.9±32.9 °C
Index of Refraction: 1.549
Molar Refractivity: 158.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 7.70
ACD/LogD (pH 5.5): 7.20
ACD/BCF (pH 5.5): 173813.77
ACD/KOC (pH 5.5): 196077.83
ACD/LogD (pH 7.4): 7.20
ACD/BCF (pH 7.4): 173813.77
ACD/KOC (pH 7.4): 196077.83
Polar Surface Area: 72 Å2
Polarizability: 62.9±0.5 10-24cm3
Surface Tension: 40.4±3.0 dyne/cm
Molar Volume: 498.9±3.0 cm3

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