ChemSpider 2D Image | 2-({2-[(1R,3r)-Adamantan-1-ylamino]-2-oxoethyl}sulfanyl)-N-isobutylbenzamide | C23H32N2O2S

2-({2-[(1R,3r)-Adamantan-1-ylamino]-2-oxoethyl}sulfanyl)-N-isobutylbenzamide

  • Molecular FormulaC23H32N2O2S
  • Average mass400.577 Da
  • Monoisotopic mass400.218445 Da
  • ChemSpider ID80797712

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

2-({2-[(1R,3r)-Adamantan-1-ylamino]-2-oxoethyl}sulfanyl)-N-isobutylbenzamid [German] [ACD/IUPAC Name]
2-({2-[(1R,3r)-Adamantan-1-ylamino]-2-oxoethyl}sulfanyl)-N-isobutylbenzamide [ACD/IUPAC Name]
2-({2-[(1R,3r)-Adamantan-1-ylamino]-2-oxoéthyl}sulfanyl)-N-isobutylbenzamide [French] [ACD/IUPAC Name]
Benzamide, N-(2-methylpropyl)-2-[[2-oxo-2-[(1R)-tricyclo[3.3.1.13,7]dec-1-ylamino]ethyl]thio]- [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: 608.8±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.4±3.0 kJ/mol
Flash Point: 322.0±29.6 °C
Index of Refraction: 1.598
Molar Refractivity: 114.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.27
ACD/LogD (pH 5.5): 4.22
ACD/BCF (pH 5.5): 955.83
ACD/KOC (pH 5.5): 4731.03
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 955.83
ACD/KOC (pH 7.4): 4731.03
Polar Surface Area: 84 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 51.5±5.0 dyne/cm
Molar Volume: 336.7±5.0 cm3

Click to predict properties on the Chemicalize site


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