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(2E,8E)-9-(1,3-benzodioxol-5-yl)-N-[(2R)-2-methylbutyl]nona-2,8-dienamide

PubChem CID: 44521561

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Topological Polar Surface Area 47.6
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 25.0
Isotope Atom Count 0.0
Molecular Complexity 446.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 1.0
Iupac Name (2E,8E)-9-(1,3-benzodioxol-5-yl)-N-[(2R)-2-methylbutyl]nona-2,8-dienamide
Prediction Hob 0.0
Xlogp 5.4
Molecular Formula C21H29NO3
Prediction Swissadme 0.0
Inchi Key RZUFSJCGGIKYGP-UTUZZDLOSA-N
Fcsp3 0.4761904761904761
Logs -4.524
Rotatable Bond Count 10.0
Logd 4.268
Compound Name (2E,8E)-9-(1,3-benzodioxol-5-yl)-N-[(2R)-2-methylbutyl]nona-2,8-dienamide
Prediction Hob Swissadme 0.0
Exact Mass 343.215
Formal Charge 0.0
Monoisotopic Mass 343.215
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 343.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 2.0
Esol -5.141095399999999
Inchi InChI=1S/C21H29NO3/c1-3-17(2)15-22-21(23)11-9-7-5-4-6-8-10-18-12-13-19-20(14-18)25-16-24-19/h8-14,17H,3-7,15-16H2,1-2H3,(H,22,23)/b10-8+,11-9+/t17-/m1/s1
Smiles CC[C@@H](C)CNC(=O)/C=C/CCCC/C=C/C1=CC2=C(C=C1)OCO2
Nring 2.0
Defined Bond Stereocenter Count 2.0

  • 1. Outgoing r'ship FOUND_IN to/from Abies Webbiana (Plant) Rel Props:Source_db:cmaup_ingredients
  • 2. Outgoing r'ship FOUND_IN to/from Brickellia Longifolia (Plant) Rel Props:Source_db:cmaup_ingredients
  • 3. Outgoing r'ship FOUND_IN to/from Bupleurum Rigidum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 4. Outgoing r'ship FOUND_IN to/from Carpesium Longifolium (Plant) Rel Props:Source_db:cmaup_ingredients
  • 5. Outgoing r'ship FOUND_IN to/from Cochlearia Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 6. Outgoing r'ship FOUND_IN to/from Coelogyne Nitida (Plant) Rel Props:Source_db:cmaup_ingredients
  • 7. Outgoing r'ship FOUND_IN to/from Crocus Corsicus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 8. Outgoing r'ship FOUND_IN to/from Dichotomanthes Tristaniicarpa (Plant) Rel Props:Source_db:cmaup_ingredients
  • 9. Outgoing r'ship FOUND_IN to/from Dracontium Loretense (Plant) Rel Props:Source_db:cmaup_ingredients
  • 10. Outgoing r'ship FOUND_IN to/from Euphorbia Wangii (Plant) Rel Props:Source_db:cmaup_ingredients
  • 11. Outgoing r'ship FOUND_IN to/from Frullania Brasiliensis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 12. Outgoing r'ship FOUND_IN to/from Homalium Laurifolium (Plant) Rel Props:Source_db:cmaup_ingredients
  • 13. Outgoing r'ship FOUND_IN to/from Matsumurella Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 14. Outgoing r'ship FOUND_IN to/from Palisota Barteri (Plant) Rel Props:Source_db:cmaup_ingredients
  • 15. Outgoing r'ship FOUND_IN to/from Piper Retrofractum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 16. Outgoing r'ship FOUND_IN to/from Podocarpus Minor (Plant) Rel Props:Source_db:cmaup_ingredients
  • 17. Outgoing r'ship FOUND_IN to/from Schefflera Venulosa (Plant) Rel Props:Source_db:cmaup_ingredients
  • 18. Outgoing r'ship FOUND_IN to/from Silene Banksia (Plant) Rel Props:Source_db:cmaup_ingredients
  • 19. Outgoing r'ship FOUND_IN to/from Verbesina Virginica (Plant) Rel Props:Source_db:cmaup_ingredients
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