ChemSpider 2D Image | 2-Methyl-2-propanyl (2S)-2-{[4-({(2R)-1-[(4-ethylphenyl)amino]-3-methyl-1-oxo-2-butanyl}carbamoyl)-1-piperidinyl]carbonyl}-1-pyrrolidinecarboxylate | C29H44N4O5

2-Methyl-2-propanyl (2S)-2-{[4-({(2R)-1-[(4-ethylphenyl)amino]-3-methyl-1-oxo-2-butanyl}carbamoyl)-1-piperidinyl]carbonyl}-1-pyrrolidinecarboxylate

  • Molecular FormulaC29H44N4O5
  • Average mass528.683 Da
  • Monoisotopic mass528.331177 Da
  • ChemSpider ID17468741

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-2-{[4-({(2R)-1-[(4-Éthylphényl)amino]-3-méthyl-1-oxo-2-butanyl}carbamoyl)-1-pipéridinyl]carbonyl}-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1-Pyrrolidinecarboxylic acid, 2-[[4-[[[(1R)-1-[[(4-ethylphenyl)amino]carbonyl]-2-methylpropyl]amino]carbonyl]-1-piperidinyl]carbonyl]-, 1,1-dimethylethyl ester, (2S)- [ACD/Index Name]
2-Methyl-2-propanyl (2S)-2-{[4-({(2R)-1-[(4-ethylphenyl)amino]-3-methyl-1-oxo-2-butanyl}carbamoyl)-1-piperidinyl]carbonyl}-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2S)-2-{[4-({(2R)-1-[(4-ethylphenyl)amino]-3-methyl-1-oxo-2-butanyl}carbamoyl)-1-piperidinyl]carbonyl}-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
956960-96-6 [RN]
TERT-BUTYL (2S)-2-(4-{[(1R)-1-[(4-ETHYLPHENYL)CARBAMOYL]-2-METHYLPROPYL]CARBAMOYL}PIPERIDINE-1-CARBONYL)PYRROLIDINE-1-CARBOXYLATE
tert-butyl (2S)-2-[4-[[(2R)-1-(4-ethylanilino)-3-methyl-1-oxobutan-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: 750.4±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 109.4±3.0 kJ/mol
    Flash Point: 407.7±32.9 °C
    Index of Refraction: 1.559
    Molar Refractivity: 146.0±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 3.02
    ACD/LogD (pH 5.5): 3.62
    ACD/BCF (pH 5.5): 328.92
    ACD/KOC (pH 5.5): 2204.65
    ACD/LogD (pH 7.4): 3.62
    ACD/BCF (pH 7.4): 328.93
    ACD/KOC (pH 7.4): 2204.70
    Polar Surface Area: 108 Å2
    Polarizability: 57.9±0.5 10-24cm3
    Surface Tension: 50.0±3.0 dyne/cm
    Molar Volume: 452.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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