Hortiamide
PubChem CID: 5319528
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| Compound Synonyms | Hortiamide, 106055-13-4, CHEMBL5286065, AKOS040763224, F94162 |
|---|---|
| Topological Polar Surface Area | 38.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 373.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-[2-[4-(3-methylbut-2-enoxy)phenyl]ethyl]benzamide |
| Prediction Hob | 1.0 |
| Xlogp | 4.6 |
| Molecular Formula | C20H23NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YTMPRFNRITVZFV-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -4.111 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.933 |
| Compound Name | Hortiamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 309.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 309.173 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 309.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.826122756521739 |
| Inchi | InChI=1S/C20H23NO2/c1-16(2)13-15-23-19-10-8-17(9-11-19)12-14-21-20(22)18-6-4-3-5-7-18/h3-11,13H,12,14-15H2,1-2H3,(H,21,22) |
| Smiles | CC(=CCOC1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Atalantia Buxifolia (Plant) Rel Props:Source_db:cmaup_ingredients