(2E,4E)-N-[(2R)-2-methylbutyl]deca-2,4-dienamide
PubChem CID: 38347217
Connections displayed (default: 10).
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| Compound Synonyms | SCHEMBL1839218, SCHEMBL1839220 |
|---|---|
| Topological Polar Surface Area | 29.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 243.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2E,4E)-N-[(2R)-2-methylbutyl]deca-2,4-dienamide |
| Prediction Hob | 1.0 |
| Xlogp | 4.8 |
| Molecular Formula | C15H27NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | DNFXVYXFGYXVTF-HVMMISARSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -3.135 |
| Rotatable Bond Count | 9.0 |
| Logd | 4.039 |
| Compound Name | (2E,4E)-N-[(2R)-2-methylbutyl]deca-2,4-dienamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 237.209 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 237.209 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 237.38 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.9370993999999992 |
| Inchi | InChI=1S/C15H27NO/c1-4-6-7-8-9-10-11-12-15(17)16-13-14(3)5-2/h9-12,14H,4-8,13H2,1-3H3,(H,16,17)/b10-9+,12-11+/t14-/m1/s1 |
| Smiles | CCCCC/C=C/C=C/C(=O)NC[C@H](C)CC |
| 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 Sarmentosum (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Rubus Pileatus (Plant) Rel Props:Source_db:cmaup_ingredients