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Search term: PXJSHQUWAKRZPH-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Methyl 4-[(adamantan-1-ylcarbamoyl)amino]-2-hydroxybenzoate | C19H24N2O4

Methyl 4-[(adamantan-1-ylcarbamoyl)amino]-2-hydroxybenzoate

  • Molecular FormulaC19H24N2O4
  • Average mass344.405 Da
  • Monoisotopic mass344.173615 Da
  • ChemSpider ID24696869

More details:

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

4-[(Adamantan-1-ylcarbamoyl)amino]-2-hydroxybenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-hydroxy-4-[[(tricyclo[3.3.1.13,7]dec-1-ylamino)carbonyl]amino]-, methyl ester [ACD/Index Name]
Methyl 4-[(adamantan-1-ylcarbamoyl)amino]-2-hydroxybenzoate [ACD/IUPAC Name]
Methyl-4-[(adamantan-1-ylcarbamoyl)amino]salicylat [German] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL476614/
Urea-based compound, 14

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

Density: 1.3±0.1 g/cm3
Boiling Point: 475.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.8±3.0 kJ/mol
Flash Point: 241.6±28.7 °C
Index of Refraction: 1.620
Molar Refractivity: 91.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.82
ACD/LogD (pH 5.5): 4.32
ACD/BCF (pH 5.5): 1126.27
ACD/KOC (pH 5.5): 5320.62
ACD/LogD (pH 7.4): 4.32
ACD/BCF (pH 7.4): 1123.45
ACD/KOC (pH 7.4): 5307.28
Polar Surface Area: 88 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 60.6±5.0 dyne/cm
Molar Volume: 260.6±5.0 cm3

Click to predict properties on the Chemicalize site


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