Found 16 results

Search term: MF = 'C_{39}H_{54}N_{2}O_{3}'
ChemSpider 2D Image | N~2~-Benzyl-N-(2,6-dimethylphenyl)-2-methyl-N~2~-{[(2R,4a'S,5S,8a'S)-2',5,5',5',8a'-pentamethyl-4,4a',5,5',6',7',8',8a'-octahydro-3H,4'H-spiro[furan-2,1'-naphthalen]-5-yl]acetyl}alaninamide | C39H54N2O3

N2-Benzyl-N-(2,6-dimethylphenyl)-2-methyl-N2-{[(2R,4a'S,5S,8a'S)-2',5,5',5',8a'-pentamethyl-4,4a',5,5',6',7',8',8a'-octahydro-3H,4'H-spiro[furan-2,1'-naphthalen]-5-yl]acetyl}alaninamide

  • Molecular FormulaC39H54N2O3
  • Average mass598.858 Da
  • Monoisotopic mass598.413452 Da
  • ChemSpider ID30820866

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

N2-Benzyl-N-(2,6-dimethylphenyl)-2-methyl-N2-{[(2R,4a'S,5S,8a'S)-2',5,5',5',8a'-pentamethyl-4,4a',5,5',6',7',8',8a'-octahydro-3H,4'H-spiro[furan-2,1'-naphthalen]-5-yl]acetyl}alaninamid [German] [ACD/IUPAC Name]
N2-Benzyl-N-(2,6-dimethylphenyl)-2-methyl-N2-{[(2R,4a'S,5S,8a'S)-2',5,5',5',8a'-pentamethyl-4,4a',5,5',6',7',8',8a'-octahydro-3H,4'H-spiro[furan-2,1'-naphthalen]-5-yl]acetyl}alaninamide [ACD/IUPAC Name]
N2-Benzyl-N-(2,6-diméthylphényl)-2-méthyl-N2-{2-[(2R,4a'S,5S,8a'S)-2',5,5',5',8a'-pentaméthyl-4,4a',5,5',6',7',8',8a'-octahydro-3H,4'H-spiro[furan-2,1'-naphthalen]-5-yl]acétyl}alaninamide [French] [ACD/IUPAC Name]
Spiro[furan-2(3H),1'(4'H)-naphthalene]-5-acetamide, N-[2-[(2,6-dimethylphenyl)amino]-1,1-dimethyl-2-oxoethyl]-4,4'a,5,5',6',7',8',8'a-octahydro-2',5,5',5',8'a-pentamethyl-N-(phenylmethyl)-, (2R,4'aS,5 S,8'aS)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 705.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.2±3.0 kJ/mol
Flash Point: 380.4±32.9 °C
Index of Refraction: 1.580
Molar Refractivity: 179.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 9.75
ACD/LogD (pH 5.5): 8.91
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1678997.25
ACD/LogD (pH 7.4): 8.91
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1679255.25
Polar Surface Area: 59 Å2
Polarizability: 71.2±0.5 10-24cm3
Surface Tension: 47.4±5.0 dyne/cm
Molar Volume: 539.5±5.0 cm3

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