ChemSpider 2D Image | N-[(2S)-1-{[(3S)-1-Benzyl-3-cyano-3-pyrrolidinyl]amino}-3-cyclohexyl-1-oxo-2-propanyl]-4-morpholinecarboxamide | C26H37N5O3

N-[(2S)-1-{[(3S)-1-Benzyl-3-cyano-3-pyrrolidinyl]amino}-3-cyclohexyl-1-oxo-2-propanyl]-4-morpholinecarboxamide

  • Molecular FormulaC26H37N5O3
  • Average mass467.604 Da
  • Monoisotopic mass467.289642 Da
  • ChemSpider ID25061201

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-Morpholinecarboxamide, N-[(1S)-2-[[(3S)-3-cyano-1-(phenylmethyl)-3-pyrrolidinyl]amino]-1-(cyclohexylmethyl)-2-oxoethyl]- [ACD/Index Name]
N-[(1S)-2-{[(3S)-1-benzyl-3-cyanopyrrolidin-3-yl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide
N-[(2S)-1-{[(3S)-1-Benzyl-3-cyan-3-pyrrolidinyl]amino}-3-cyclohexyl-1-oxo-2-propanyl]-4-morpholincarboxamid [German] [ACD/IUPAC Name]
N-[(2S)-1-{[(3S)-1-Benzyl-3-cyano-3-pyrrolidinyl]amino}-3-cyclohexyl-1-oxo-2-propanyl]-4-morpholinecarboxamide [ACD/IUPAC Name]
N-[(2S)-1-{[(3S)-1-Benzyl-3-cyano-3-pyrrolidinyl]amino}-3-cyclohexyl-1-oxo-2-propanyl]-4-morpholinecarboxamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 745.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.7±3.0 kJ/mol
Flash Point: 404.8±32.9 °C
Index of Refraction: 1.596
Molar Refractivity: 130.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.71
ACD/LogD (pH 5.5): 2.81
ACD/BCF (pH 5.5): 71.19
ACD/KOC (pH 5.5): 642.13
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 114.78
ACD/KOC (pH 7.4): 1035.26
Polar Surface Area: 98 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 58.4±5.0 dyne/cm
Molar Volume: 382.7±5.0 cm3

Click to predict properties on the Chemicalize site


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