Fagaramide
PubChem CID: 5281772
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| Compound Synonyms | Fagaramide, 495-86-3, trans-fagaramide, 60045-88-7, FOGARAMIDE, Piperonyl-4-aacrylylisobutylamide, 2-Propenamide, 3-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-, N-Isobutyl-3,4-methylenedioxycinnamamide, AI3-30755, CHEBI:4966, (E)-3-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)prop-2-enamide, NSC-94257, 3-(1,3-Benzodioxo-5-yl)-N-(2-methylpropyl)-2-propenamide, Cinnamamide, N-isobutyl-3,4-methylenedioxy-, Cinnamamide, N-isobutyl-3,4- (methylenedioxy)-, (E)-3-(1,3-benzodioxol-5-yl)-N-isobutyl-prop-2-enamide, 2-Propenamide, 3-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-, (2E)-, C2UHL92KKP, AC1NQZ1T, Cinnamamide, N-isobutyl-3,4-(methylenedioxy)-, (E)-, Fagaramid, 3-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)prop-2-enamide, CHEMBL252709, SCHEMBL2987846, SCHEMBL17073972, Cinnamamide,4-(methylenedioxy)-, DTXSID001318385, HMS1750A04, NSC94257, AKOS001133721, N-Isobutyl-3,4-methylenedioxy cinnamide, Cinnamamide,4-(methylenedioxy)-, stereoisomer, T5404670, 3-(Benzo[d][1,3]dioxol-5-yl)-N-isobutylacrylamide, Q27106593, Z32386287, (2E)-3-(1,3-benzodioxol-5-yl)-N-isobutyl-2-propenamide, 2-Propenamide,3-benzodioxol-5-yl)-N-(2-methylpropyl)-, (E)- |
|---|---|
| Topological Polar Surface Area | 47.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 314.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-3-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)prop-2-enamide |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C14H17NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | WKWYNAMJWDRHBP-GQCTYLIASA-N |
| Fcsp3 | 0.3571428571428571 |
| Logs | -4.305 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.507 |
| Compound Name | Fagaramide |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 247.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 247.121 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 247.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.894789466666666 |
| Inchi | InChI=1S/C14H17NO3/c1-10(2)8-15-14(16)6-4-11-3-5-12-13(7-11)18-9-17-12/h3-7,10H,8-9H2,1-2H3,(H,15,16)/b6-4+ |
| Smiles | CC(C)CNC(=O)/C=C/C1=CC2=C(C=C1)OCO2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Austriaca (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Chrysolaena Propinqua (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Daphne Blagayana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Digitalis Obscura (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Erythrina Orientalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Lotus Villosus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Mesua Elegans (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Michelia Rajaniana (Plant) Rel Props:Source_db:npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Onychopetalum Amazonicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Stevia Serrata (Plant) Rel Props:Source_db:npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Vernonia Tufnellae (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all