N-vanillylmyristamide
PubChem CID: 9950914
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| Compound Synonyms | N-vanillylmyristamide, vanillyl tetradecanamide, SCHEMBL5889449, CDJVNVARFLTQIA-UHFFFAOYSA-N |
|---|---|
| Topological Polar Surface Area | 58.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 348.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-[(4-hydroxy-3-methoxyphenyl)methyl]tetradecanamide |
| Prediction Hob | 0.0 |
| Xlogp | 6.9 |
| Molecular Formula | C22H37NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CDJVNVARFLTQIA-UHFFFAOYSA-N |
| Fcsp3 | 0.6818181818181818 |
| Logs | -3.708 |
| Rotatable Bond Count | 15.0 |
| Logd | 4.28 |
| Compound Name | N-vanillylmyristamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 363.277 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 363.277 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 363.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.527229630769231 |
| Inchi | InChI=1S/C22H37NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-22(25)23-18-19-15-16-20(24)21(17-19)26-2/h15-17,24H,3-14,18H2,1-2H3,(H,23,25) |
| Smiles | CCCCCCCCCCCCCC(=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