ChemSpider 2D Image | 4-[(trans-4-{[(1s,3R,5S)-Adamantan-1-ylcarbamoyl]amino}cyclohexyl)oxy]benzoic acid | C24H32N2O4

4-[(trans-4-{[(1s,3R,5S)-Adamantan-1-ylcarbamoyl]amino}cyclohexyl)oxy]benzoic acid

  • Molecular FormulaC24H32N2O4
  • Average mass412.522 Da
  • Monoisotopic mass412.236206 Da
  • ChemSpider ID34975878

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

4-[(trans-4-{[(1s,3R,5S)-Adamantan-1-ylcarbamoyl]amino}cyclohexyl)oxy]benzoesäure [German] [ACD/IUPAC Name]
4-[(trans-4-{[(1s,3R,5S)-Adamantan-1-ylcarbamoyl]amino}cyclohexyl)oxy]benzoic acid [ACD/IUPAC Name]
Acide 4-[(trans-4-{[(1s,3R,5S)-adamantan-1-ylcarbamoyl]amino}cyclohexyl)oxy]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[trans-4-[[[(3R,5S)-tricyclo[3.3.1.13,7]dec-1-ylamino]carbonyl]amino]cyclohexyl]oxy]- [ACD/Index Name]
4-[[trans-4-[[(tricyclo[3.3.1.13,7]dec-1-ylamino)carbonyl]amino]cyclohexyl]oxy]-benzoic acid
885012-33-9 [RN]
AR-9281
trans-AUCB

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 641.3±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.5±3.0 kJ/mol
Flash Point: 341.7±29.6 °C
Index of Refraction: 1.612
Molar Refractivity: 112.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.78
ACD/LogD (pH 5.5): 3.49
ACD/BCF (pH 5.5): 145.51
ACD/KOC (pH 5.5): 604.48
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 3.23
ACD/KOC (pH 7.4): 13.41
Polar Surface Area: 88 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 58.2±5.0 dyne/cm
Molar Volume: 324.2±5.0 cm3

Click to predict properties on the Chemicalize site


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