ChemSpider 2D Image | (4R)-1-(1-{4-[Ethyl(phenyl)amino]-4-oxobutanoyl}-4-piperidinyl)-4-hydroxy-N-(3-methoxybenzyl)-L-prolinamide | C30H40N4O5

(4R)-1-(1-{4-[Ethyl(phenyl)amino]-4-oxobutanoyl}-4-piperidinyl)-4-hydroxy-N-(3-methoxybenzyl)-L-prolinamide

  • Molecular FormulaC30H40N4O5
  • Average mass536.662 Da
  • Monoisotopic mass536.299866 Da
  • ChemSpider ID53592034
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(4R)-1-(1-{4-[Ethyl(phenyl)amino]-4-oxobutanoyl}-4-piperidinyl)-4-hydroxy-N-(3-methoxybenzyl)-L-prolinamid [German] [ACD/IUPAC Name]
(4R)-1-(1-{4-[Ethyl(phenyl)amino]-4-oxobutanoyl}-4-piperidinyl)-4-hydroxy-N-(3-methoxybenzyl)-L-prolinamide [ACD/IUPAC Name]
(4R)-1-(1-{4-[Éthyl(phényl)amino]-4-oxobutanoyl}-4-pipéridinyl)-4-hydroxy-N-(3-méthoxybenzyl)-L-prolinamide [French] [ACD/IUPAC Name]
1-Piperidinebutanamide, N-ethyl-4-[(2S,4R)-4-hydroxy-2-[[[(3-methoxyphenyl)methyl]amino]carbonyl]-1-pyrrolidinyl]-γ-oxo-N-phenyl- [ACD/Index Name]
(2S,4R)-1-{1-[4-(ethylanilino)-4-oxobutanoyl]-4-piperidyl}-4-hydroxy-N-(3-methoxybenzyl)tetrahydro-1H-pyrrole-2-carboxamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 786.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.0±3.0 kJ/mol
Flash Point: 429.6±32.9 °C
Index of Refraction: 1.606
Molar Refractivity: 149.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 1.37
ACD/LogD (pH 5.5): 0.80
ACD/BCF (pH 5.5): 1.24
ACD/KOC (pH 5.5): 18.58
ACD/LogD (pH 7.4): 1.92
ACD/BCF (pH 7.4): 16.27
ACD/KOC (pH 7.4): 244.21
Polar Surface Area: 102 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 57.4±3.0 dyne/cm
Molar Volume: 433.0±3.0 cm3

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