ChemSpider 2D Image | N-[(2R)-4-(4-Hydroxyphenyl)-2-butanyl]-2-{2-phenyl-6-[2-(1-piperidinyl)ethoxy]-1H-indol-3-yl}acetamide | C33H39N3O3

N-[(2R)-4-(4-Hydroxyphenyl)-2-butanyl]-2-{2-phenyl-6-[2-(1-piperidinyl)ethoxy]-1H-indol-3-yl}acetamide

  • Molecular FormulaC33H39N3O3
  • Average mass525.681 Da
  • Monoisotopic mass525.299133 Da
  • ChemSpider ID20581159
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1H-Indole-3-acetamide, N-[(1R)-3-(4-hydroxyphenyl)-1-methylpropyl]-2-phenyl-6-[2-(1-piperidinyl)ethoxy]- [ACD/Index Name]
N-[(1r)-3-(4-Hydroxyphenyl)-1-Methylpropyl]-2-[2-Phenyl-6-(2-Piperidin-1-Ylethoxy)-1h-Indol-3-Yl]acetamide
N-[(2R)-4-(4-Hydroxyphenyl)-2-butanyl]-2-{2-phenyl-6-[2-(1-piperidinyl)ethoxy]-1H-indol-3-yl}acetamid [German] [ACD/IUPAC Name]
N-[(2R)-4-(4-Hydroxyphenyl)-2-butanyl]-2-{2-phenyl-6-[2-(1-piperidinyl)ethoxy]-1H-indol-3-yl}acetamide [ACD/IUPAC Name]
N-[(2R)-4-(4-Hydroxyphényl)-2-butanyl]-2-{2-phényl-6-[2-(1-pipéridinyl)éthoxy]-1H-indol-3-yl}acétamide [French] [ACD/IUPAC Name]
CHEMBL241303
IOG

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 797.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.0±3.0 kJ/mol
Flash Point: 435.9±32.9 °C
Index of Refraction: 1.623
Molar Refractivity: 157.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.09
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 13.79
ACD/KOC (pH 5.5): 35.04
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 452.34
ACD/KOC (pH 7.4): 1149.60
Polar Surface Area: 78 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 445.5±3.0 cm3

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