ChemSpider 2D Image | 2-Methyl-2-propanyl [(2S)-1-[4-({(2S)-1-[(4-ethylphenyl)amino]-1-oxo-2-propanyl}carbamoyl)-1-piperidinyl]-3-(1H-indol-3-yl)-1-oxo-2-propanyl]carbamate | C33H43N5O5

2-Methyl-2-propanyl [(2S)-1-[4-({(2S)-1-[(4-ethylphenyl)amino]-1-oxo-2-propanyl}carbamoyl)-1-piperidinyl]-3-(1H-indol-3-yl)-1-oxo-2-propanyl]carbamate

  • Molecular FormulaC33H43N5O5
  • Average mass589.725 Da
  • Monoisotopic mass589.326416 Da
  • ChemSpider ID17466810

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(2S)-1-[4-({(2S)-1-[(4-Éthylphényl)amino]-1-oxo-2-propanyl}carbamoyl)-1-pipéridinyl]-3-(1H-indol-3-yl)-1-oxo-2-propanyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(2S)-1-[4-({(2S)-1-[(4-ethylphenyl)amino]-1-oxo-2-propanyl}carbamoyl)-1-piperidinyl]-3-(1H-indol-3-yl)-1-oxo-2-propanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(2S)-1-[4-({(2S)-1-[(4-ethylphenyl)amino]-1-oxo-2-propanyl}carbamoyl)-1-piperidinyl]-3-(1H-indol-3-yl)-1-oxo-2-propanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-2-[4-[[[(1S)-2-[(4-ethylphenyl)amino]-1-methyl-2-oxoethyl]amino]carbonyl]-1-piperidinyl]-1-(1H-indol-3-ylmethyl)-2-oxoethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
956912-02-0 [RN]
TERT-BUTYL N-[(2S)-1-(4-{[(1S)-1-[(4-ETHYLPHENYL)CARBAMOYL]ETHYL]CARBAMOYL}PIPERIDIN-1-YL)-3-(1H-INDOL-3-YL)-1-OXOPROPAN-2-YL]CARBAMATE
tert-butyl N-[(2S)-1-[4-[[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl]carbamoyl]piperidin-1-yl]-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: 889.5±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 129.3±3.0 kJ/mol
    Flash Point: 491.8±34.3 °C
    Index of Refraction: 1.609
    Molar Refractivity: 166.5±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 4
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 2
    ACD/LogP: 4.57
    ACD/LogD (pH 5.5): 4.40
    ACD/BCF (pH 5.5): 1308.58
    ACD/KOC (pH 5.5): 5920.01
    ACD/LogD (pH 7.4): 4.40
    ACD/BCF (pH 7.4): 1308.56
    ACD/KOC (pH 7.4): 5919.91
    Polar Surface Area: 133 Å2
    Polarizability: 66.0±0.5 10-24cm3
    Surface Tension: 56.1±3.0 dyne/cm
    Molar Volume: 480.9±3.0 cm3

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