2,4,8,10-Dodecatetraenamide, N-(2-methylpropyl)-, (2E,4E,8Z,10E)-
PubChem CID: 6440539
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| Compound Synonyms | 75917-90-7, 2,4,8,10-Dodecatetraenamide, N-(2-methylpropyl)-, (2E,4E,8Z,10E)-, (2E,4E,8Z,10E)-N-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide, dodeca-2E,4E,8Z,10E-tetraenoic acid isobutylamide, CHEMBL463345, NXV62B426A, Dodecatetraenoic acid isobutylamide, (2E,4E,8Z,10E)-, UNII-NXV62B426A, SCHEMBL3926840, Dodeca-2,4,8,10-tetraenoic acid isobutylamide E,E,Z,E-isomer, BDBM50532222, (2E,4E,8Z,10E)-dodecatetraenoic acid isobutylamide, Q27285097, (2E,4E,8Z,10E)-N-Isobutyldodeca-2,4,8,10-tetraenamide, (2e,4e,8z,10e)-N-(2-methylpropyl)dodeca-2,4,8,10-tetraen amide, Dodeca-2E,4E,8Z-Tetraenoic Acid Isobutylamide (10E/Z Mixture), (2E,4E,8Z)-N-Isobutyldodeca-2,4,8,10-tetraenamide (10E/Z Mixture), (2E,4E,8Z,10E)-N-(2-Methylpropyl)-2,4,8,10-dodecatetraenamide Mixture With (2E,4E,8Z,10Z)-N-(2-Methylpropyl)-2,4,8,10-dodecatetraenamide, (2E,4E,8Z,10E)-N-(2-Methylpropyl)-2,4,8,10-dodecatetraenamide, 2,4,8,10-Dodecatetraenamide, N-(2-methylpropyl)-, (E,E,E,Z), Dodeca-2E,4E,8Z,10E-tetraenoic acid isobutylamide |
|---|---|
| Topological Polar Surface Area | 29.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 322.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P37231, P34972 |
| Iupac Name | (2E,4E,8Z,10E)-N-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide |
| Prediction Hob | 1.0 |
| Target Id | NPT1287 |
| Xlogp | 4.2 |
| Molecular Formula | C16H25NO |
| Prediction Swissadme | 1.0 |
| Inchi Key | VLGRWXYRKYWRPX-SRGJGADKSA-N |
| Fcsp3 | 0.4375 |
| Logs | -2.911 |
| Rotatable Bond Count | 8.0 |
| Logd | 2.638 |
| Compound Name | 2,4,8,10-Dodecatetraenamide, N-(2-methylpropyl)-, (2E,4E,8Z,10E)- |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 247.194 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 247.194 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 247.38 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 4.0 |
| Esol | -3.7311684 |
| Inchi | InChI=1S/C16H25NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h4-7,10-13,15H,8-9,14H2,1-3H3,(H,17,18)/b5-4+,7-6-,11-10+,13-12+ |
| Smiles | C/C=C/C=C\CC/C=C/C=C/C(=O)NCC(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 4.0 |
- 1. Outgoing r'ship
FOUND_INto/from Asarum Sieboldii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Echinacea Angustifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Echinacea Purpurea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all