ChemSpider 2D Image | N-[2-(tert-Butylamino)-1-(2-hydroxy-3-methoxyphenyl)-2-oxoethyl]-N-[(5-methyl-2-furyl)methyl]-4-(pyren-1-yl)butanamide | C39H40N2O5

N-[2-(tert-Butylamino)-1-(2-hydroxy-3-methoxyphenyl)-2-oxoethyl]-N-[(5-methyl-2-furyl)methyl]-4-(pyren-1-yl)butanamide

  • Molecular FormulaC39H40N2O5
  • Average mass616.745 Da
  • Monoisotopic mass616.293701 Da
  • ChemSpider ID21106056

More details:

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

1-Pyrenebutanamide, N-[2-[(1,1-dimethylethyl)amino]-1-(2-hydroxy-3-methoxyphenyl)-2-oxoethyl]-N-[(5-methyl-2-furanyl)methyl]- [ACD/Index Name]
N-[2-(tert-Butylamino)-1-(2-hydroxy-3-methoxyphenyl)-2-oxoethyl]-N-[(5-methyl-2-furyl)methyl]-4-(pyren-1-yl)butanamide
N-[2-(tert-butylamino)-1-(2-hydroxy-3-methoxyphenyl)-2-oxoethyl]-N-[(5-methylfuran-2-yl)methyl]-4-(pyren-1-yl)butanamide
N-{1-(2-Hydroxy-3-methoxyphenyl)-2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}-N-[(5-methyl-2-furyl)methyl]-4-(1-pyrenyl)butanamid [German] [ACD/IUPAC Name]
N-{1-(2-Hydroxy-3-methoxyphenyl)-2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}-N-[(5-methyl-2-furyl)methyl]-4-(1-pyrenyl)butanamide [ACD/IUPAC Name]
N-{1-(2-Hydroxy-3-méthoxyphényl)-2-[(2-méthyl-2-propanyl)amino]-2-oxoéthyl}-N-[(5-méthyl-2-furyl)méthyl]-4-(1-pyrényl)butanamide [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: 839.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.2±3.0 kJ/mol
Flash Point: 461.6±34.3 °C
Index of Refraction: 1.670
Molar Refractivity: 185.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.21
ACD/LogD (pH 5.5): 6.83
ACD/BCF (pH 5.5): 91794.11
ACD/KOC (pH 5.5): 124145.42
ACD/LogD (pH 7.4): 6.82
ACD/BCF (pH 7.4): 90000.04
ACD/KOC (pH 7.4): 121719.07
Polar Surface Area: 92 Å2
Polarizability: 73.6±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 497.4±3.0 cm3

Click to predict properties on the Chemicalize site


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