N-Isobutylundeca-2(E)-en-8,10-diynamide
PubChem CID: 5368482
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| Compound Synonyms | CHEMBL2287715, (e)-N-isobutylundeca-2-en-8,10-diynamide, C15H21NO, N-Isobutylundeca-2(E)-en-8,10-diynamide, SCHEMBL4909511, SCHEMBL4909518, YKYOIMJLSMZUBA-VAWYXSNFSA-N, BDBM50532218, N-Isobutylundeca-2(E)-ene-8,10-diynamide, (2E)-N-Isobutyl-2-undecene-8,10-diynamide #, 99615-81-3 |
|---|---|
| Topological Polar Surface Area | 29.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 356.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P21554, P34972 |
| Iupac Name | (E)-N-(2-methylpropyl)undec-2-en-8,10-diynamide |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C15H21NO |
| Prediction Swissadme | 1.0 |
| Inchi Key | YKYOIMJLSMZUBA-VAWYXSNFSA-N |
| Fcsp3 | 0.5333333333333333 |
| Logs | -3.059 |
| Rotatable Bond Count | 8.0 |
| Logd | 2.946 |
| Compound Name | N-Isobutylundeca-2(E)-en-8,10-diynamide |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 231.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 231.162 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 231.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.3386017999999997 |
| Inchi | InChI=1S/C15H21NO/c1-4-5-6-7-8-9-10-11-12-15(17)16-13-14(2)3/h1,11-12,14H,7-10,13H2,2-3H3,(H,16,17)/b12-11+ |
| Smiles | CC(C)CNC(=O)/C=C/CCCCC#CC#C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Echinacea Angustifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all