(E)-4,5-dihydroxy-N-(2-methylpropyl)dec-2-enamide
PubChem CID: 21580215
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| Ghose Rule | True |
|---|---|
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 69.6 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | CCCCCCC/C=C/C=O)NCCC)C)))))))O))O |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty amides |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 251.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-4,5-dihydroxy-N-(2-methylpropyl)dec-2-enamide |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 2.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H27NO3 |
| Inchi Key | GKAGMQMUZOEEEM-CMDGGOBGSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 9.0 |
| Synonyms | sylvamide |
| Esol Class | Soluble |
| Functional Groups | C/C=C/C(=O)NC, CO |
| Compound Name | (E)-4,5-dihydroxy-N-(2-methylpropyl)dec-2-enamide |
| Exact Mass | 257.199 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 257.199 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 257.37 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C14H27NO3/c1-4-5-6-7-12(16)13(17)8-9-14(18)15-10-11(2)3/h8-9,11-13,16-17H,4-7,10H2,1-3H3,(H,15,18)/b9-8+ |
| Smiles | CCCCCC(C(/C=C/C(=O)NCC(C)C)O)O |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Piper Sylvaticum (Plant) Rel Props:Reference:ISBN:9788185042114