Octadecanamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-
PubChem CID: 3024455
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| Compound Synonyms | 58493-50-8, Octadecanamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-, N-[(4-hydroxy-3-methoxyphenyl)methyl]octadecanamide, N-Vanillyloctadecanamide, CHEMBL78533, N-((4-Hydroxy-3-methoxyphenyl)methyl)octadecanamide, BRN 3456035, Stearoyl vanilylamide, SCHEMBL5088067, DTXSID50207204, BDBM50231217, AKOS037646572, AS-69651 |
|---|---|
| Topological Polar Surface Area | 58.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 402.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | O35433, Q8NER1, Q9WUD2 |
| Iupac Name | N-[(4-hydroxy-3-methoxyphenyl)methyl]octadecanamide |
| Prediction Hob | 0.0 |
| Xlogp | 9.1 |
| Molecular Formula | C26H45NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SBFFPOWNFONUBK-UHFFFAOYSA-N |
| Fcsp3 | 0.7307692307692307 |
| Logs | -3.777 |
| Rotatable Bond Count | 19.0 |
| Logd | 4.554 |
| Compound Name | Octadecanamide, N-((4-hydroxy-3-methoxyphenyl)methyl)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 419.34 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 419.34 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 419.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.9554300000000016 |
| Inchi | InChI=1S/C26H45NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(29)27-22-23-19-20-24(28)25(21-23)30-2/h19-21,28H,3-18,22H2,1-2H3,(H,27,29) |
| Smiles | CCCCCCCCCCCCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all