Solapalmitine
PubChem CID: 275969
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| Compound Synonyms | Solapalmitine, SOLAPALMATINE, 17232-85-8, Hexadecanamide, N,N-bis[4-(dimethylamino)butyl]-, N,N-Bis[4-(dimethylamino)butyl]hexadecanamide, DTXSID30298438, 4,4'-Bis(dimethylamino)-N-palmitoyldibutylamine, N,N-Bis(4-dimethylaminobutyl)palmitoyl amide, Hexadecanamide, N,N-bis(4-(dimethylamino)butyl)-, CHEMBL460314, DTXCID20249575, NSC123124, NSC-123124, N,N-Bis(dimethylaminobutyl)palmitoyl amide, Hexadecanamide,N-bis[4-(dimethylamino)butyl]-, N,N-Bis[4-(dimethylamino)butyl]hexadecanamide # |
|---|---|
| Topological Polar Surface Area | 26.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 382.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N,N-bis[4-(dimethylamino)butyl]hexadecanamide |
| Nih Violation | True |
| Prediction Hob | 0.0 |
| Xlogp | 8.6 |
| Is Pains | False |
| Molecular Formula | C28H59N3O |
| Prediction Swissadme | 0.0 |
| Inchi Key | VEHJXNZJUVYBQN-UHFFFAOYSA-N |
| Fcsp3 | 0.9642857142857144 |
| Rotatable Bond Count | 24.0 |
| Compound Name | Solapalmitine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 453.466 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 453.466 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 453.8 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.390060000000002 |
| Inchi | InChI=1S/C28H59N3O/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-23-28(32)31(26-21-19-24-29(2)3)27-22-20-25-30(4)5/h6-27H2,1-5H3 |
| Smiles | CCCCCCCCCCCCCCCC(=O)N(CCCCN(C)C)CCCCN(C)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Solanum Tripartitum (Plant) Rel Props:Source_db:cmaup_ingredients