N-[2-(4-prenyloxyphenyl)ethyl]tiglamide
PubChem CID: 101683175
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | N-[2-(4-prenyloxyphenyl)ethyl]tiglamide, CHEMBL5191091, CHEBI:174049, DTXSID401140926, (E)-2-methyl-N-[2-[4-(3-methylbut-2-enoxy)phenyl]ethyl]but-2-enamide, (2E)-2-Methyl-N-[2-[4-[(3-methyl-2-buten-1-yl)oxy]phenyl]ethyl]-2-butenamide, 172837-74-0 |
|---|---|
| Topological Polar Surface Area | 38.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Description | Constituent of Boronia megastigma (brown boronia) |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 373.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-2-methyl-N-[2-[4-(3-methylbut-2-enoxy)phenyl]ethyl]but-2-enamide |
| Prediction Hob | 1.0 |
| Class | Benzene and substituted derivatives |
| Xlogp | 4.2 |
| Superclass | Benzenoids |
| Subclass | Phenethylamines |
| Molecular Formula | C18H25NO2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | VKVSQOIICDPVQR-PJQLUOCWSA-N |
| Fcsp3 | 0.3888888888888889 |
| Logs | -3.517 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.852 |
| Synonyms | N-[2-(4-Prenyloxyphenyl)ethyl]tiglamide |
| Substituent Name | Phenethylamine, Phenol ether, Alkyl aryl ether, Organic 1,3-dipolar compound, Propargyl-type 1,3-dipolar organic compound, Ether, Carboximidic acid derivative, Carboximidic acid, Hydrocarbon derivative, Organooxygen compound, Organonitrogen compound, Aromatic homomonocyclic compound |
| Compound Name | N-[2-(4-prenyloxyphenyl)ethyl]tiglamide |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 287.189 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 287.189 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 287.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.225227171428572 |
| Inchi | InChI=1S/C18H25NO2/c1-5-15(4)18(20)19-12-10-16-6-8-17(9-7-16)21-13-11-14(2)3/h5-9,11H,10,12-13H2,1-4H3,(H,19,20)/b15-5+ |
| Smiles | C/C=C(\C)/C(=O)NCCC1=CC=C(C=C1)OCC=C(C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Jacaranda Caucana (Plant) Rel Props:Source_db:cmaup_ingredients