ChemSpider 2D Image | N~2~-[(2R)-2-Cyclohexyl-2-{[(2R)-2-(2,3-dihydro-1H-inden-1-yl)-2-(dimethylamino)acetyl]amino}acetyl]-N-ethyl-N~2~-methyl-D-leucinamide | C30H48N4O3

N2-[(2R)-2-Cyclohexyl-2-{[(2R)-2-(2,3-dihydro-1H-inden-1-yl)-2-(dimethylamino)acetyl]amino}acetyl]-N-ethyl-N2-methyl-D-leucinamide

  • Molecular FormulaC30H48N4O3
  • Average mass512.727 Da
  • Monoisotopic mass512.372620 Da
  • ChemSpider ID10026983

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

1H-Indene-1-acetamide, N-[(1R)-1-cyclohexyl-2-[[(1R)-1-[(ethylamino)carbonyl]-3-methylbutyl]methylamino]-2-oxoethyl]-α-(dimethylamino)-2,3-dihydro-, (αR)- [ACD/Index Name]
N2-[(2R)-2-Cyclohexyl-2-{[(2R)-2-(2,3-dihydro-1H-inden-1-yl)-2-(dimethylamino)acetyl]amino}acetyl]-N-ethyl-N2-methyl-D-leucinamid [German] [ACD/IUPAC Name]
N2-[(2R)-2-Cyclohexyl-2-{[(2R)-2-(2,3-dihydro-1H-inden-1-yl)-2-(dimethylamino)acetyl]amino}acetyl]-N-ethyl-N2-methyl-D-leucinamide [ACD/IUPAC Name]
N2-[(2R)-2-Cyclohexyl-2-{[(2R)-2-(2,3-dihydro-1H-indén-1-yl)-2-(diméthylamino)acétyl]amino}acétyl]-N-éthyl-N2-méthyl-D-leucinamide [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 710.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.9±3.0 kJ/mol
Flash Point: 383.5±32.9 °C
Index of Refraction: 1.538
Molar Refractivity: 148.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 100.55
ACD/KOC (pH 5.5): 443.73
ACD/LogD (pH 7.4): 4.39
ACD/BCF (pH 7.4): 1225.01
ACD/KOC (pH 7.4): 5406.07
Polar Surface Area: 82 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 43.6±3.0 dyne/cm
Molar Volume: 473.5±3.0 cm3

Click to predict properties on the Chemicalize site


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