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Search term: PGASROOBWFBOMO (Found by InChIKey (skeleton match))
ChemSpider 2D Image | N-[4-(Diethylamino)phenyl]-2-[(4-methylpentanoyl)amino]-1,2,3,4-tetrahydro-2-naphthalenecarboxamide | C27H37N3O2

N-[4-(Diethylamino)phenyl]-2-[(4-methylpentanoyl)amino]-1,2,3,4-tetrahydro-2-naphthalenecarboxamide

  • Molecular FormulaC27H37N3O2
  • Average mass435.602 Da
  • Monoisotopic mass435.288574 Da
  • ChemSpider ID23247494

More details:

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

2-Naphthalenecarboxamide, N-[4-(diethylamino)phenyl]-1,2,3,4-tetrahydro-2-[(4-methyl-1-oxopentyl)amino]- [ACD/Index Name]
N-[4-(Diéthylamino)phényl]-2-[(4-méthylpentanoyl)amino]-1,2,3,4-tétrahydro-2-naphtalènecarboxamide [French] [ACD/IUPAC Name]
N-[4-(Diethylamino)phenyl]-2-[(4-methylpentanoyl)amino]-1,2,3,4-tetrahydro-2-naphthalenecarboxamide [ACD/IUPAC Name]
N-[4-(Diethylamino)phenyl]-2-[(4-methylpentanoyl)amino]-1,2,3,4-tetrahydro-2-naphthalincarboxamid [German] [ACD/IUPAC Name]
N-[4-(diethylamino)phenyl]-2-[(4-methylpentanoyl)amino]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
2-(4-Methyl-pentanoylamino)-1,2,3,4-tetrahydro-naphthalene-2-carboxylic acid (4-diethylamino-phenyl)-amide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL360766/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 677.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.4±3.0 kJ/mol
Flash Point: 363.3±31.5 °C
Index of Refraction: 1.581
Molar Refractivity: 130.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 6.01
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 93.71
ACD/KOC (pH 5.5): 245.72
ACD/LogD (pH 7.4): 5.07
ACD/BCF (pH 7.4): 3326.80
ACD/KOC (pH 7.4): 8722.69
Polar Surface Area: 61 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 48.7±5.0 dyne/cm
Molar Volume: 390.9±5.0 cm3

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