ChemSpider 2D Image | CUR 61414 | C31H42N4O5

CUR 61414

  • Molecular FormulaC31H42N4O5
  • Average mass550.689 Da
  • Monoisotopic mass550.315491 Da
  • ChemSpider ID8568244

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

334998-36-6 [RN]
Butanamide, N-[(3S,5S)-1-(1,3-benzodioxol-5-ylmethyl)-5-(1-piperazinylcarbonyl)-3-pyrrolidinyl]-N-[(3-methoxyphenyl)methyl]-3,3-dimethyl- [ACD/Index Name]
CUR 61414
N-[(3S,5S)-1-(1,3-Benzodioxol-5-ylmethyl)-5-(1-piperazinylcarbonyl)-3-pyrrolidinyl]-N-(3-methoxybenzyl)-3,3-dimethylbutanamid [German] [ACD/IUPAC Name]
N-[(3S,5S)-1-(1,3-Benzodioxol-5-ylmethyl)-5-(1-piperazinylcarbonyl)-3-pyrrolidinyl]-N-(3-methoxybenzyl)-3,3-dimethylbutanamide [ACD/IUPAC Name]
N-[(3S,5S)-1-(1,3-Benzodioxol-5-ylméthyl)-5-(1-pipérazinylcarbonyl)-3-pyrrolidinyl]-N-(3-méthoxybenzyl)-3,3-diméthylbutanamide [French] [ACD/IUPAC Name]
BUTANAMIDE,N-[(3S,5S)-1-(1,3-BENZODIOXOL-5-YLMETHYL)-5-(1-PIPERAZINYLCARBONYL)-3-PYRROLIDINYL]-N-[(3-METHOXYPHENYL)METHYL]-3,3-DIMETHYL-
CHEMBL480889
CUR61414
CUR-61414
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 714.1±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 104.4±3.0 kJ/mol
    Flash Point: 385.7±32.9 °C
    Index of Refraction: 1.616
    Molar Refractivity: 154.0±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 3.28
    ACD/LogD (pH 5.5): 0.59
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.63
    ACD/LogD (pH 7.4): 2.89
    ACD/BCF (pH 7.4): 69.81
    ACD/KOC (pH 7.4): 520.12
    Polar Surface Area: 84 Å2
    Polarizability: 61.1±0.5 10-24cm3
    Surface Tension: 57.9±5.0 dyne/cm
    Molar Volume: 440.7±5.0 cm3

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