(2E)-16-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)hexadeca-2,4-dienamide
PubChem CID: 6324844
Connections displayed (default: 10).
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| Topological Polar Surface Area | 47.6 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 529.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E)-16-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)hexadeca-2,4-dienamide |
| Prediction Hob | 0.0 |
| Xlogp | 8.9 |
| Molecular Formula | C27H41NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FEZQSZONRKTTRN-BPTOFFOOSA-N |
| Fcsp3 | 0.5925925925925926 |
| Logs | -6.286 |
| Rotatable Bond Count | 16.0 |
| Logd | 4.846 |
| Compound Name | (2E)-16-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)hexadeca-2,4-dienamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 427.309 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 427.309 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 427.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -7.399725606451614 |
| Inchi | InChI=1S/C27H41NO3/c1-23(2)21-28-27(29)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-24-18-19-25-26(20-24)31-22-30-25/h11,13,15,17-20,23H,3-10,12,14,16,21-22H2,1-2H3,(H,28,29)/b13-11?,17-15+ |
| Smiles | CC(C)CNC(=O)/C=C/C=CCCCCCCCCCCCC1=CC2=C(C=C1)OCO2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Piper Brachystachyum (Plant) Rel Props:Source_db:cmaup_ingredients