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

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

  • Molecular FormulaC29H45N3O5
  • Average mass515.685 Da
  • Monoisotopic mass515.335938 Da
  • ChemSpider ID22805826

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

2-Naphthaleneacetamide, decahydro-1-hydroxy-7-[(4-methoxybenzoyl)amino]-α,4a,8-trimethyl-N-[2-(4-morpholinyl)ethyl]-, (αS,1S,7S,8S,8aS)- [ACD/Index Name]
N-{(1S,2S,8S,8aS)-8-Hydroxy-1,4a-diméthyl-7-[(2S)-1-{[2-(4-morpholinyl)éthyl]amino}-1-oxo-2-propanyl]décahydro-2-naphtalényl}-4-méthoxybenzamide [French] [ACD/IUPAC Name]
N-{(1S,2S,8S,8aS)-8-Hydroxy-1,4a-dimethyl-7-[(2S)-1-{[2-(4-morpholinyl)ethyl]amino}-1-oxo-2-propanyl]decahydro-2-naphthalenyl}-4-methoxybenzamide [ACD/IUPAC Name]
N-{(1S,2S,8S,8aS)-8-Hydroxy-1,4a-dimethyl-7-[(2S)-1-{[2-(4-morpholinyl)ethyl]amino}-1-oxo-2-propanyl]decahydro-2-naphthalinyl}-4-methoxybenzamid [German] [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: 727.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.4±3.0 kJ/mol
Flash Point: 393.6±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: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.05
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 2.43
ACD/KOC (pH 5.5): 33.32
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 23.48
ACD/KOC (pH 7.4): 322.20
Polar Surface Area: 100 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 51.7±5.0 dyne/cm
Molar Volume: 436.4±5.0 cm3

Click to predict properties on the Chemicalize site


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