ChemSpider 2D Image | N-(4-Ethylphenyl)-Nalpha-{[1-(N-{[(2-methyl-2-propanyl)oxy]carbonyl}glycyl)-4-piperidinyl]carbonyl}-L-tryptophanamide | C32H41N5O5

N-(4-Ethylphenyl)-Nα-{[1-(N-{[(2-methyl-2-propanyl)oxy]carbonyl}glycyl)-4-piperidinyl]carbonyl}-L-tryptophanamide

  • Molecular FormulaC32H41N5O5
  • Average mass575.698 Da
  • Monoisotopic mass575.310791 Da
  • ChemSpider ID17465737
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

Carbamic acid, N-[2-[4-[[[(1S)-2-[(4-ethylphenyl)amino]-1-(1H-indol-3-ylmethyl)-2-oxoethyl]amino]carbonyl]-1-piperidinyl]-2-oxoethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
N-(4-Ethylphenyl)-Nα-{[1-(N-{[(2-methyl-2-propanyl)oxy]carbonyl}glycyl)-4-piperidinyl]carbonyl}-L-tryptophanamid [German] [ACD/IUPAC Name]
N-(4-Ethylphenyl)-Nα-{[1-(N-{[(2-methyl-2-propanyl)oxy]carbonyl}glycyl)-4-piperidinyl]carbonyl}-L-tryptophanamide [ACD/IUPAC Name]
N-(4-Éthylphényl)-Nα-{[1-(N-{[(2-méthyl-2-propanyl)oxy]carbonyl}glycyl)-4-pipéridinyl]carbonyl}-L-tryptophaneamide [French] [ACD/IUPAC Name]
957047-78-8 [RN]
C32H41N5O5
TERT-BUTYL N-[2-(4-{[(1S)-1-[(4-ETHYLPHENYL)CARBAMOYL]-2-(1H-INDOL-3-YL)ETHYL]CARBAMOYL}PIPERIDIN-1-YL)-2-OXOETHYL]CARBAMATE
tert-butyl N-[2-[4-[[(2S)-1-(4-ethylanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl]piperidin-1-yl]-2-oxoethyl]carbamate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 891.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.6±3.0 kJ/mol
Flash Point: 492.8±34.3 °C
Index of Refraction: 1.615
Molar Refractivity: 161.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.17
ACD/LogD (pH 5.5): 3.87
ACD/BCF (pH 5.5): 511.07
ACD/KOC (pH 5.5): 3020.31
ACD/LogD (pH 7.4): 3.87
ACD/BCF (pH 7.4): 511.07
ACD/KOC (pH 7.4): 3020.29
Polar Surface Area: 133 Å2
Polarizability: 64.2±0.5 10-24cm3
Surface Tension: 57.5±3.0 dyne/cm
Molar Volume: 464.0±3.0 cm3

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