ChemSpider 2D Image | (1R,3S)-N-{(2S,3R)-3-Hydroxy-4-[(3-isopropylbenzyl)amino]-1-phenyl-2-butanyl}-3-[2-(2-oxo-1-piperidinyl)-2-propanyl]cyclohexanecarboxamide | C35H51N3O3

(1R,3S)-N-{(2S,3R)-3-Hydroxy-4-[(3-isopropylbenzyl)amino]-1-phenyl-2-butanyl}-3-[2-(2-oxo-1-piperidinyl)-2-propanyl]cyclohexanecarboxamide

  • Molecular FormulaC35H51N3O3
  • Average mass561.798 Da
  • Monoisotopic mass561.393066 Da
  • ChemSpider ID25056743

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1r,3s)-N-[(1s,2r)-1-Benzyl-2-Hydroxy-3-{[3-(1-Methylethyl)benzyl]amino}propyl]-3-[1-Methyl-1-(2-Oxopiperidin-1-Yl)ethyl]cyclohexanecarboxamide
(1R,3S)-N-{(2S,3R)-3-Hydroxy-4-[(3-isopropylbenzyl)amino]-1-phenyl-2-butanyl}-3-[2-(2-oxo-1-piperidinyl)-2-propanyl]cyclohexancarboxamid [German] [ACD/IUPAC Name]
(1R,3S)-N-{(2S,3R)-3-Hydroxy-4-[(3-isopropylbenzyl)amino]-1-phenyl-2-butanyl}-3-[2-(2-oxo-1-piperidinyl)-2-propanyl]cyclohexanecarboxamide [ACD/IUPAC Name]
(1R,3S)-N-{(2S,3R)-3-Hydroxy-4-[(3-isopropylbenzyl)amino]-1-phényl-2-butanyl}-3-[2-(2-oxo-1-pipéridinyl)-2-propanyl]cyclohexanecarboxamide [French] [ACD/IUPAC Name]
Cyclohexanecarboxamide, N-[(1S,2R)-2-hydroxy-3-[[[3-(1-methylethyl)phenyl]methyl]amino]-1-(phenylmethyl)propyl]-3-[1-methyl-1-(2-oxo-1-piperidinyl)ethyl]-, (1R,3S)- [ACD/Index Name]
BJC

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

Density: 1.1±0.1 g/cm3
Boiling Point: 762.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.5±3.0 kJ/mol
Flash Point: 414.9±32.9 °C
Index of Refraction: 1.566
Molar Refractivity: 165.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.18
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 53.02
ACD/KOC (pH 5.5): 97.39
ACD/LogD (pH 7.4): 5.05
ACD/BCF (pH 7.4): 2115.57
ACD/KOC (pH 7.4): 3886.13
Polar Surface Area: 82 Å2
Polarizability: 65.6±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 507.4±3.0 cm3

Click to predict properties on the Chemicalize site


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