ChemSpider 2D Image | 2-Methyl-2-propanyl (2S)-2-{[4-({(2S)-1-[(4-ethoxyphenyl)amino]-1-oxo-3-phenyl-2-propanyl}carbamoyl)-1-piperidinyl]carbonyl}-1-pyrrolidinecarboxylate | C33H44N4O6

2-Methyl-2-propanyl (2S)-2-{[4-({(2S)-1-[(4-ethoxyphenyl)amino]-1-oxo-3-phenyl-2-propanyl}carbamoyl)-1-piperidinyl]carbonyl}-1-pyrrolidinecarboxylate

  • Molecular FormulaC33H44N4O6
  • Average mass592.726 Da
  • Monoisotopic mass592.326111 Da
  • ChemSpider ID17469712

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-2-{[4-({(2S)-1-[(4-Éthoxyphényl)amino]-1-oxo-3-phényl-2-propanyl}carbamoyl)-1-pipéridinyl]carbonyl}-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1-Pyrrolidinecarboxylic acid, 2-[[4-[[[(1S)-2-[(4-ethoxyphenyl)amino]-2-oxo-1-(phenylmethyl)ethyl]amino]carbonyl]-1-piperidinyl]carbonyl]-, 1,1-dimethylethyl ester, (2S)- [ACD/Index Name]
2-Methyl-2-propanyl (2S)-2-{[4-({(2S)-1-[(4-ethoxyphenyl)amino]-1-oxo-3-phenyl-2-propanyl}carbamoyl)-1-piperidinyl]carbonyl}-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2S)-2-{[4-({(2S)-1-[(4-ethoxyphenyl)amino]-1-oxo-3-phenyl-2-propanyl}carbamoyl)-1-piperidinyl]carbonyl}-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
957020-79-0 [RN]
MCULE-5889594708
MolPort-000-785-127
STOCK1N-61295
TERT-BUTYL (2S)-2-(4-{[(1S)-1-[(4-ETHOXYPHENYL)CARBAMOYL]-2-PHENYLETHYL]CARBAMOYL}PIPERIDINE-1-CARBONYL)PYRROLIDINE-1-CARBOXYLATE
tert-butyl (2S)-2-[4-[[(2S)-1-(4-ethoxyanilino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]piperidine-1-carbonyl]pyrrolidine-1-carboxylate

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 837.1±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.1 mmHg at 25°C
    Enthalpy of Vaporization: 121.6±3.0 kJ/mol
    Flash Point: 460.0±34.3 °C
    Index of Refraction: 1.584
    Molar Refractivity: 163.1±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 2
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 2
    ACD/LogP: 3.60
    ACD/LogD (pH 5.5): 4.14
    ACD/BCF (pH 5.5): 817.69
    ACD/KOC (pH 5.5): 4230.84
    ACD/LogD (pH 7.4): 4.14
    ACD/BCF (pH 7.4): 817.73
    ACD/KOC (pH 7.4): 4231.03
    Polar Surface Area: 117 Å2
    Polarizability: 64.6±0.5 10-24cm3
    Surface Tension: 53.6±3.0 dyne/cm
    Molar Volume: 487.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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