Lanyuamide I
PubChem CID: 5318939
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| Compound Synonyms | Lanyuamide I, (2E,4E)-N-((2S)-Butan-2-yl)-8-oxotetradeca-2,4-dienimidate, (2E,4E)-N-[(2S)-Butan-2-yl]-8-oxotetradeca-2,4-dienimidate, CHEMBL480491, SCHEMBL26130745, (2E,4E)-N-(2-methylpropyl)-8-oxotetradeca-2,4-dienamide, 8-oxo-tetradeca-2,4-dienoic acid (2-hydroxy-2-methyl-propyl)amide, 249898-38-2 |
|---|---|
| Topological Polar Surface Area | 46.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 343.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | (2E,4E)-N-(2-methylpropyl)-8-oxotetradeca-2,4-dienamide |
| Prediction Hob | 1.0 |
| Xlogp | 4.3 |
| Molecular Formula | C18H31NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AMCKSJIHLFXIIZ-DQBULIGTSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -3.62 |
| Rotatable Bond Count | 12.0 |
| Logd | 3.679 |
| Compound Name | Lanyuamide I |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 293.235 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 293.235 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 293.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.8283962000000002 |
| Inchi | InChI=1S/C18H31NO2/c1-4-5-6-9-12-17(20)13-10-7-8-11-14-18(21)19-15-16(2)3/h7-8,11,14,16H,4-6,9-10,12-13,15H2,1-3H3,(H,19,21)/b8-7+,14-11+ |
| Smiles | CCCCCCC(=O)CC/C=C/C=C/C(=O)NCC(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
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