ChemSpider 2D Image | (1s,3R,4s,5S,7s)-4-{[2-(4-Methoxyphenoxy)-2-methylpropanoyl]amino}-1-adamantanecarboxamide | C22H30N2O4

(1s,3R,4s,5S,7s)-4-{[2-(4-Methoxyphenoxy)-2-methylpropanoyl]amino}-1-adamantanecarboxamide

  • Molecular FormulaC22H30N2O4
  • Average mass386.485 Da
  • Monoisotopic mass386.220551 Da
  • ChemSpider ID26328288
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(1s,3R,4s,5S,7s)-4-{[2-(4-Methoxyphenoxy)-2-methylpropanoyl]amino}-1-adamantancarboxamid [German] [ACD/IUPAC Name]
(1s,3R,4s,5S,7s)-4-{[2-(4-Methoxyphenoxy)-2-methylpropanoyl]amino}-1-adamantanecarboxamide [ACD/IUPAC Name]
(1s,3R,4s,5S,7s)-4-{[2-(4-Méthoxyphénoxy)-2-méthylpropanoyl]amino}-1-adamantanecarboxamide [French] [ACD/IUPAC Name]
(1S,3R,4S,5S,7S)-4-{[2-(4-METHOXYPHENOXY)-2-METHYLPROPANOYL]AMINO}ADAMANTANE-1-CARBOXAMIDE
Tricyclo[3.3.1.13,7]decane-1-carboxamide, 4-[[2-(4-methoxyphenoxy)-2-methyl-1-oxopropyl]amino]-, (3R,5S)- [ACD/Index Name]
(1s,3R,4s,5S,7s)-4-[2-(4-methoxyphenoxy)-2-methylpropanamido]adamantane-1-carboxamide
NN4

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

Density: 1.2±0.1 g/cm3
Boiling Point: 642.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 342.4±31.5 °C
Index of Refraction: 1.585
Molar Refractivity: 105.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.34
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 48.40
ACD/KOC (pH 5.5): 559.30
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 48.40
ACD/KOC (pH 7.4): 559.30
Polar Surface Area: 91 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 52.3±5.0 dyne/cm
Molar Volume: 315.3±5.0 cm3

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