ChemSpider 2D Image | N-[2-(2,3-Dihydro-1-benzofuran-5-yl)ethyl]-2-{(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-pyrrolidinyl}-2,2-diphenylacetamide | C38H40N2O3

N-[2-(2,3-Dihydro-1-benzofuran-5-yl)ethyl]-2-{(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-pyrrolidinyl}-2,2-diphenylacetamide

  • Molecular FormulaC38H40N2O3
  • Average mass572.736 Da
  • Monoisotopic mass572.303894 Da
  • ChemSpider ID107450241

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-Pyrrolidineacetamide, N,1-bis[2-(2,3-dihydro-5-benzofuranyl)ethyl]-α,α-diphenyl-, (3S)- [ACD/Index Name]
N-[2-(2,3-Dihydro-1-benzofuran-5-yl)ethyl]-2-{(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-pyrrolidinyl}-2,2-diphenylacetamid [German] [ACD/IUPAC Name]
N-[2-(2,3-Dihydro-1-benzofuran-5-yl)ethyl]-2-{(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-pyrrolidinyl}-2,2-diphenylacetamide [ACD/IUPAC Name]
N-[2-(2,3-Dihydro-1-benzofuran-5-yl)éthyl]-2-{(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)éthyl]-3-pyrrolidinyl}-2,2-diphénylacétamide [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: 770.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.1±3.0 kJ/mol
Flash Point: 419.5±32.9 °C
Index of Refraction: 1.629
Molar Refractivity: 169.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.59
ACD/LogD (pH 5.5): 3.36
ACD/BCF (pH 5.5): 39.63
ACD/KOC (pH 5.5): 67.59
ACD/LogD (pH 7.4): 4.55
ACD/BCF (pH 7.4): 611.88
ACD/KOC (pH 7.4): 1043.78
Polar Surface Area: 51 Å2
Polarizability: 67.1±0.5 10-24cm3
Surface Tension: 52.8±3.0 dyne/cm
Molar Volume: 476.7±3.0 cm3

Click to predict properties on the Chemicalize site


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