ChemSpider 2D Image | N-{(2R,3R)-2-Ethoxy-1'-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl}propanamide | C27H38N4O3

N-{(2R,3R)-2-Ethoxy-1'-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl}propanamide

  • Molecular FormulaC27H38N4O3
  • Average mass466.616 Da
  • Monoisotopic mass466.294403 Da
  • ChemSpider ID23036422

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

N-{(2R,3R)-2-Ethoxy-1'-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl}propanamid [German] [ACD/IUPAC Name]
N-{(2R,3R)-2-Ethoxy-1'-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl}propanamide [ACD/IUPAC Name]
N-{(2R,3R)-2-Éthoxy-1'-[3-(1,3,5-triméthyl-1H-pyrazol-4-yl)propanoyl]-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl}propanamide [French] [ACD/IUPAC Name]
Propanamide, N-[(2R,3R)-2-ethoxy-2,3-dihydro-1'-[1-oxo-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]spiro[1H-indene-1,4'-piperidin]-3-yl]- [ACD/Index Name]
N-{(2R*,3R*)-2-ethoxy-1'-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl}propanamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 700.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.6±3.0 kJ/mol
Flash Point: 377.6±32.9 °C
Index of Refraction: 1.609
Molar Refractivity: 133.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.48
ACD/LogD (pH 5.5): 3.69
ACD/BCF (pH 5.5): 373.36
ACD/KOC (pH 5.5): 2406.72
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 377.28
ACD/KOC (pH 7.4): 2432.00
Polar Surface Area: 76 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 43.9±7.0 dyne/cm
Molar Volume: 385.8±7.0 cm3

Click to predict properties on the Chemicalize site


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