ChemSpider 2D Image | N-(2-{[3-(2-Cyanophenoxy)-2-hydroxy(~2~H_5_)propyl]amino}ethyl)-2-(4-hydroxyphenyl)acetamide | C20H18D5N3O4

N-(2-{[3-(2-Cyanophenoxy)-2-hydroxy(2H5)propyl]amino}ethyl)-2-(4-hydroxyphenyl)acetamide

  • Molecular FormulaC20H18D5N3O4
  • Average mass374.445 Da
  • Monoisotopic mass374.200226 Da
  • ChemSpider ID48061359

  • Non-standard isotope - Non-standard isotope

More details:

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

Benzeneacetamide, N-[2-[[3-(2-cyanophenoxy)-2-hydroxypropyl-1,1,2,3,3-d5]amino]ethyl]-4-hydroxy- [ACD/Index Name]
N-(2-{[3-(2-Cyanophenoxy)-2-hydroxy(2H5)propyl]amino}ethyl)-2-(4-hydroxyphenyl)acetamide [ACD/IUPAC Name]
N-(2-{[3-(2-Cyanophénoxy)-2-hydroxy(2H5)propyl]amino}éthyl)-2-(4-hydroxyphényl)acétamide [French] [ACD/IUPAC Name]
N-(2-{[3-(2-Cyanphenoxy)-2-hydroxy(2H5)propyl]amino}ethyl)-2-(4-hydroxyphenyl)acetamid [German] [ACD/IUPAC Name]
1794938-87-6 [RN]
N-[2-[[3-(2-cyanophenoxy)-1,1,2,3,3-pentadeuterio-2-hydroxypropyl]amino]ethyl]-2-(4-hydroxyphenyl)acetamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 689.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.2±3.0 kJ/mol
Flash Point: 370.9±31.5 °C
Index of Refraction: 1.618
Molar Refractivity: 100.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 0.50
ACD/LogD (pH 5.5): -1.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.26
Polar Surface Area: 115 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 65.6±5.0 dyne/cm
Molar Volume: 287.3±5.0 cm3

Click to predict properties on the Chemicalize site


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