N-isobutyl-2E,4Z-octadecadienoyl amine
PubChem CID: 101713141
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| Compound Synonyms | N-isobutyl-2E,4Z-octadecadienoyl amine, DTXSID701016819, LMFA08020207 |
|---|---|
| Topological Polar Surface Area | 29.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Description | Constituent of the fruit of Piper nigrum (pepper). Pipericine is found in herbs and spices and pepper (spice). |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 331.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,4Z)-N-(2-methylpropyl)octadeca-2,4-dienamide |
| Nih Violation | True |
| Class | Fatty Acyls |
| Xlogp | 8.7 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Fatty amides |
| Molecular Formula | C22H41NO |
| Inchi Key | QQCGKIZHTJLRNN-JUJVUSMPSA-N |
| Rotatable Bond Count | 16.0 |
| Synonyms | Pipericine |
| Compound Name | N-isobutyl-2E,4Z-octadecadienoyl amine |
| Kingdom | Organic compounds |
| Exact Mass | 335.319 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 335.319 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 335.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Inchi | InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)/b17-16-,19-18+ |
| Smiles | CCCCCCCCCCCCC/C=C\C=C\C(=O)NCC(C)C |
| Defined Bond Stereocenter Count | 2.0 |
| Taxonomy Direct Parent | N-acyl amines |
- 1. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Source_db:fooddb_chem_all