2,4-Octadienamide, N-(2-methylpropyl)-, (E,E)-
PubChem CID: 6479668
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| Compound Synonyms | 2,4-Octadienamide, N-(2-methylpropyl)-, (E,E)-, AI3-21164, (2E,4E)-N-isobutylocta-2,4-dienamide, 23512-47-2, 2,4-Octadienamide, N-(2-methylpropyl)-, (2E,4E)-, VZASTVPVPUAAJK-BLHCBFLLSA-N, N-isobutyl-(2e,4e)-octadienamide, N-Isobutyl-trans-2-trans-4-octadienamide, 2,4-Octadienamide, N-isobutyl-, (E,E)- |
|---|---|
| Topological Polar Surface Area | 29.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 204.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,4E)-N-(2-methylpropyl)octa-2,4-dienamide |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C12H21NO |
| Prediction Swissadme | 1.0 |
| Inchi Key | VZASTVPVPUAAJK-BLHCBFLLSA-N |
| Fcsp3 | 0.5833333333333334 |
| Logs | -2.354 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.945 |
| Compound Name | 2,4-Octadienamide, N-(2-methylpropyl)-, (E,E)- |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 195.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 195.162 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 195.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -2.9669972 |
| Inchi | InChI=1S/C12H21NO/c1-4-5-6-7-8-9-12(14)13-10-11(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,13,14)/b7-6+,9-8+ |
| Smiles | CCC/C=C/C=C/C(=O)NCC(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acanthosyris Paulo-Alvinii (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Aglaia Perviridis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Ardisia Japonica (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Betula Alnoides (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Oocystis Polymorpha (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Phoebe Grandis (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Piper Sarmentosum (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Rubus Pileatus (Plant) Rel Props:Source_db:cmaup_ingredients