ChemSpider 2D Image | N-[2-(Benzylamino)-1-(2-hydroxy-3-methoxyphenyl)-2-oxoethyl]-Nalpha-(tert-butoxycarbonyl)-N-octyltryptophanamide | C40H52N4O6

N-[2-(Benzylamino)-1-(2-hydroxy-3-methoxyphenyl)-2-oxoethyl]-Nα-(tert-butoxycarbonyl)-N-octyltryptophanamide

  • Molecular FormulaC40H52N4O6
  • Average mass684.864 Da
  • Monoisotopic mass684.388672 Da
  • ChemSpider ID21106062

More details:

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

Carbamic acid, N-[2-[[1-(2-hydroxy-3-methoxyphenyl)-2-oxo-2-[(phenylmethyl)amino]ethyl]octylamino]-1-(1H-indol-3-ylmethyl)-2-oxoethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
N-[2-(Benzylamino)-1-(2-hydroxy-3-methoxyphenyl)-2-oxoethyl]-Nα-(tert-butoxycarbonyl)-N-octyltryptophanamide
N-[2-(Benzylamino)-1-(2-hydroxy-3-methoxyphenyl)-2-oxoethyl]-Nα-{[(2-methyl-2-propanyl)oxy]carbonyl}-N-octyltryptophanamid [German] [ACD/IUPAC Name]
N-[2-(Benzylamino)-1-(2-hydroxy-3-methoxyphenyl)-2-oxoethyl]-Nα-{[(2-methyl-2-propanyl)oxy]carbonyl}-N-octyltryptophanamide [ACD/IUPAC Name]
N-[2-(Benzylamino)-1-(2-hydroxy-3-méthoxyphényl)-2-oxoéthyl]-Nα-{[(2-méthyl-2-propanyl)oxy]carbonyl}-N-octyltryptophaneamide [French] [ACD/IUPAC Name]
tert-butyl [1-{[2-(benzylamino)-1-(2-hydroxy-3-methoxyphenyl)-2-oxoethyl](octyl)amino}-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 894.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.5±3.0 kJ/mol
Flash Point: 495.0±34.3 °C
Index of Refraction: 1.591
Molar Refractivity: 197.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 8.19
ACD/LogD (pH 5.5): 8.19
ACD/BCF (pH 5.5): 994088.56
ACD/KOC (pH 5.5): 683107.19
ACD/LogD (pH 7.4): 8.18
ACD/BCF (pH 7.4): 971574.00
ACD/KOC (pH 7.4): 667635.88
Polar Surface Area: 133 Å2
Polarizability: 78.1±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 582.9±3.0 cm3

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