9-Octadecenamide
PubChem CID: 1930
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| Compound Synonyms | 9-Octadecenamide, 3322-62-1, octadec-9-enamide, cis-9,10-Octadecenamide, 9-octadecene-amide, CBiol_001760, KBioGR_000209, KBioSS_000209, KBio2_000209, KBio2_002777, KBio2_005345, KBio3_000417, KBio3_000418, DTXSID60859314, Bio1_000046, Bio1_000535, Bio1_001024, Bio2_000209, Bio2_000689, HMS3266N06, AKOS028109387, Q27459975 |
|---|---|
| Topological Polar Surface Area | 43.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 236.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | octadec-9-enamide |
| Prediction Hob | 1.0 |
| Class | Fatty Acyls |
| Xlogp | 6.6 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty amides |
| Molecular Formula | C18H35NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | FATBGEAMYMYZAF-UHFFFAOYSA-N |
| Fcsp3 | 0.8333333333333334 |
| Rotatable Bond Count | 15.0 |
| Synonyms | 9,10-Octadecenamide, cis-9,10-Octadecenoamide, Oleamide, Oleic acid amide, Oleylamide, Oleylamide, (e)-isomer, trans-9,10-Octadecenoamide, Octadec-9-enimidate |
| Compound Name | 9-Octadecenamide |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 281.272 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 281.272 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 281.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | -5.465100799999999 |
| Inchi | InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H2,19,20) |
| Smiles | CCCCCCCCC=CCCCCCCCC(=O)N |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Fatty amides |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Acutiloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all