Hexadecanamide
PubChem CID: 69421
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| Compound Synonyms | Hexadecanamide, Palmitamide, 629-54-9, Palmitic amide, Cetyl amide, n-Hexadecanamide, Palmitic acid amide, Palmityl amide, Amide 16, Amide HPL, Hexadecanoic acid amide, CHEBI:74475, NSC 3327, UNII-QX1MQ82M73, NSC-3327, EINECS 211-095-5, palmitamide (ACD/Name 4.0), QX1MQ82M73, DTXSID8044707, PALMITAMIDE (PALMITIC ACID AMIDE), C16H33NO, nHexadecanamide, MFCD00025534, PALMITAMIDE [INCI], SCHEMBL43384, CHEMBL32605, DTXCID6024707, SCHEMBL23571900, NSC3327, BDBM50463964, LMFA08010009, AKOS015839800, FH62594, NCGC00161182-02, AS-56522, SY038954, DB-054345, HY-121389, CS-0081845, H0067, NS00014846, A11794, Q18651888, 211-095-5 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 43.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Primary amides |
| Deep Smiles | CCCCCCCCCCCCCCCC=O)N |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Fatty acyls |
| Description | Release agent migrating from food packaging. Isolated from seeds of Mexican apple (Casimiroa edulis) Palmitic amide is a primary fatty acid amide coming from Palmitic acid (C16:0)., , Primary fatty acid amides (R-CO-NH2) is a class of compounds that have only recently been isolated and characterized from biological sources. Key questions remain regarding how these lipid amides are produced and degraded in biological systems. (PMID 15282088), , Fatty acid amides lies in the competition with endocannabinoids for binding to the active site of the enzyme and thus in increasing the concentration of endocannabinoids, by preventing their degradation.It can be used as a marker of disease in subjects, e.g. first-onset, drug-naive patients, the disease may be, for example, schizophrenia, paranoid schizophrenia or an affective disorder.The metabolic network of primary fatty acid amides is more severely altered in affective disorder than in first onset, paranoid schizophrenia. Hexadecanamide is found in pomes. |
| Classyfire Subclass | Fatty amides |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 180.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P21554, P34972, P97612, P27695, Q9WUD2 |
| Iupac Name | hexadecanamide |
| Prediction Hob | 1.0 |
| Class | Fatty Acyls |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 5.7 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty amides |
| Gsk 4 400 Rule | False |
| Molecular Formula | C16H33NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | HSEMFIZWXHQJAE-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.9375 |
| Logs | -5.087 |
| Rotatable Bond Count | 14.0 |
| State | Solid |
| Logd | 3.705 |
| Synonyms | Amide 16, Amide HPL, Cetyl amide, Hexadecanamide, 9CI, N-hexadecanamide, Palmitamide, Palmitamide (acd/name 4.0), Palmitamide, 8CI, Palmitic acid amide, Palmitic amide, Palmiticamide, Palmityl amide, Hexadecanamide, N-Hexadecanamide, hexadecanamide, palmitamide |
| Substituent Name | Fatty amide, Primary carboxylic acid amide, Carboxamide group, Carboxylic acid derivative, Carboxylic acid amide, Hydrocarbon derivative, Organooxygen compound, Organonitrogen compound, Carbonyl group, Aliphatic acyclic compound |
| Esol Class | Moderately soluble |
| Functional Groups | CC(N)=O |
| Compound Name | Hexadecanamide |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 255.256 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 255.256 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 255.44 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -5.073565199999999 |
| Inchi | InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18) |
| Smiles | CCCCCCCCCCCCCCCC(=O)N |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Fatty amides |
| Np Classifier Superclass | Fatty amides |
- 1. Outgoing r'ship
FOUND_INto/from Alpinia Officinarum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Amomum Reticulatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Cannabis Sativa (Plant) Rel Props:Reference:ISBN:9788172363130 - 4. Outgoing r'ship
FOUND_INto/from Caralluma Russeliana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Casimiroa Edulis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Craibiodendron Yunnanese (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Dalbergia Monetaria (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Espeletiopsis Purpurascens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Helianthus Californicus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Imperata Cylindrica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Persicaria Bistorta (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10662600 - 12. Outgoing r'ship
FOUND_INto/from Plectranthus Hereroensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Polypodium Aureum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Spiraea Prunifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Teucrium Polium (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2018.1493406 - 16. Outgoing r'ship
FOUND_INto/from Ursinia Anthemoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 17. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all