ChemSpider 2D Image | (2E)-N-[(3aR,13aR)-3a,4,5,6,7,8,9,10,11,12,13,13a-Dodecahydrocyclododeca[d][1,3]oxazol-2-yl]-3-phenylacrylamide | C22H30N2O2

(2E)-N-[(3aR,13aR)-3a,4,5,6,7,8,9,10,11,12,13,13a-Dodecahydrocyclododeca[d][1,3]oxazol-2-yl]-3-phenylacrylamide

  • Molecular FormulaC22H30N2O2
  • Average mass354.486 Da
  • Monoisotopic mass354.230713 Da
  • ChemSpider ID28637915

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2E)-N-[(3aR,13aR)-3a,4,5,6,7,8,9,10,11,12,13,13a-Dodecahydrocyclododeca[d][1,3]oxazol-2-yl]-3-phenylacrylamid [German] [ACD/IUPAC Name]
(2E)-N-[(3aR,13aR)-3a,4,5,6,7,8,9,10,11,12,13,13a-Dodecahydrocyclododeca[d][1,3]oxazol-2-yl]-3-phenylacrylamide [ACD/IUPAC Name]
(2E)-N-[(3aR,13aR)-3a,4,5,6,7,8,9,10,11,12,13,13a-Dodécahydrocyclododéca[d][1,3]oxazol-2-yl]-3-phénylacrylamide [French] [ACD/IUPAC Name]
2-Propenamide, N-[(3aR,13aR)-3a,4,5,6,7,8,9,10,11,12,13,13a-dodecahydrocyclododec[d]oxazol-2-yl]-3-phenyl-, (2E)- [ACD/Index Name]
N-trans-cinnamoyl 2-amino-3a,4,5,6,7,8,9,10,11,12,13,13a-dodecahydrocyclododeca[d]oxazole

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.580
Molar Refractivity: 104.6±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.24
ACD/LogD (pH 5.5): 4.69
ACD/BCF (pH 5.5): 2105.08
ACD/KOC (pH 5.5): 8087.07
ACD/LogD (pH 7.4): 4.73
ACD/BCF (pH 7.4): 2327.68
ACD/KOC (pH 7.4): 8942.23
Polar Surface Area: 51 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 42.8±7.0 dyne/cm
Molar Volume: 314.3±7.0 cm3

Click to predict properties on the Chemicalize site


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