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Search term: VQHOVGUMWRVTGW (Found by InChIKey (skeleton match))
ChemSpider 2D Image | N-[2-(Cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(2-pyridinyl)pentanediamide | C33H38N4O6

N-[2-(Cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(2-pyridinyl)pentanediamide

  • Molecular FormulaC33H38N4O6
  • Average mass586.678 Da
  • Monoisotopic mass586.279114 Da
  • ChemSpider ID2448437

More details:

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

N-[2-(Cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(2-pyridinyl)pentandiamid [German] [ACD/IUPAC Name]
N-[2-(Cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(2-pyridinyl)pentanediamide [ACD/IUPAC Name]
N-[2-(Cyclohexylamino)-1-(4-méthoxyphényl)-2-oxoéthyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(2-pyridinyl)pentanediamide [French] [ACD/IUPAC Name]
Pentanediamide, N1-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N5-2-pyridinyl- [ACD/Index Name]
Pentanedioic acid [cyclohexylcarbamoyl-(4-methoxy-phenyl)-methyl]-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-amide pyridin-2-ylamide

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

ASN 05258162 [DBID]
MLS000555675 [DBID]
SMR000173033 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 871.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 126.6±3.0 kJ/mol
Flash Point: 480.6±34.3 °C
Index of Refraction: 1.626
Molar Refractivity: 160.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 315.59
ACD/KOC (pH 5.5): 2133.74
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 318.98
ACD/KOC (pH 7.4): 2156.66
Polar Surface Area: 119 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 63.2±5.0 dyne/cm
Molar Volume: 453.7±5.0 cm3

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