ChemSpider 2D Image | (2S)-2-{(1S,7S,8S,8aS)-1-Hydroxy-4a,8-dimethyl-7-[(phenoxyacetyl)amino]decahydro-2-naphthalenyl}-N-[2-(4-morpholinyl)ethyl]propanamide | C29H45N3O5

(2S)-2-{(1S,7S,8S,8aS)-1-Hydroxy-4a,8-dimethyl-7-[(phenoxyacetyl)amino]decahydro-2-naphthalenyl}-N-[2-(4-morpholinyl)ethyl]propanamide

  • Molecular FormulaC29H45N3O5
  • Average mass515.685 Da
  • Monoisotopic mass515.335938 Da
  • ChemSpider ID22805992

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(2S)-2-{(1S,7S,8S,8aS)-1-Hydroxy-4a,8-diméthyl-7-[(2-phénoxyacétyl)amino]décahydro-2-naphtalényl}-N-[2-(4-morpholinyl)éthyl]propanamide [French] [ACD/IUPAC Name]
(2S)-2-{(1S,7S,8S,8aS)-1-Hydroxy-4a,8-dimethyl-7-[(phenoxyacetyl)amino]decahydro-2-naphthalenyl}-N-[2-(4-morpholinyl)ethyl]propanamide [ACD/IUPAC Name]
(2S)-2-{(1S,7S,8S,8aS)-1-Hydroxy-4a,8-dimethyl-7-[(phenoxyacetyl)amino]decahydro-2-naphthalinyl}-N-[2-(4-morpholinyl)ethyl]propanamid [German] [ACD/IUPAC Name]
2-Naphthaleneacetamide, decahydro-1-hydroxy-α,4a,8-trimethyl-N-[2-(4-morpholinyl)ethyl]-7-[(2-phenoxyacetyl)amino]-, (αS,1S,7S,8S,8aS)- [ACD/Index 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: 745.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.1±3.0 kJ/mol
Flash Point: 404.6±32.9 °C
Index of Refraction: 1.571
Molar Refractivity: 143.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.05
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 5.17
ACD/KOC (pH 5.5): 57.21
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 49.96
ACD/KOC (pH 7.4): 553.25
Polar Surface Area: 100 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 51.8±5.0 dyne/cm
Molar Volume: 436.8±5.0 cm3

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