Lanyuamide Ii
PubChem CID: 5318940
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| Compound Synonyms | Lanyuamide II, (2E,4E,8Z)-N-((2S)-Butan-2-yl)-12-oxotetradeca-2,4,8-trienimidate, (2E,4E,8Z)-N-[(2S)-Butan-2-yl]-12-oxotetradeca-2,4,8-trienimidate, CHEMBL480492, SCHEMBL26131291, (2E,4E,8Z)-N-(2-methylpropyl)-12-oxotetradeca-2,4,8-trienamide, 249898-39-3 |
|---|---|
| Topological Polar Surface Area | 46.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 379.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | (2E,4E,8Z)-N-(2-methylpropyl)-12-oxotetradeca-2,4,8-trienamide |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C18H29NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FUSIHPXPVQSRQH-RLMPMMINSA-N |
| Fcsp3 | 0.5555555555555556 |
| Logs | -2.718 |
| Rotatable Bond Count | 11.0 |
| Logd | 1.901 |
| Compound Name | Lanyuamide Ii |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 291.22 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 291.22 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 291.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -3.4093970000000002 |
| Inchi | InChI=1S/C18H29NO2/c1-4-17(20)13-11-9-7-5-6-8-10-12-14-18(21)19-15-16(2)3/h7-10,12,14,16H,4-6,11,13,15H2,1-3H3,(H,19,21)/b9-7-,10-8+,14-12+ |
| Smiles | CCC(=O)CC/C=C\CC/C=C/C=C/C(=O)NCC(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 3.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zanthoxylum Integrifoliolum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all