(2E,13E)-15-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pentadeca-2,4,13-trienamide
PubChem CID: 6324842
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| Topological Polar Surface Area | 47.6 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 552.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,13E)-15-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pentadeca-2,4,13-trienamide |
| Prediction Hob | 0.0 |
| Xlogp | 7.6 |
| Molecular Formula | C26H37NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UJRIYGLYYIVULW-KVUABMHCSA-N |
| Fcsp3 | 0.5 |
| Logs | -5.275 |
| Rotatable Bond Count | 14.0 |
| Logd | 4.848 |
| Compound Name | (2E,13E)-15-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pentadeca-2,4,13-trienamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 411.277 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 411.277 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 411.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -6.6621331999999995 |
| Inchi | InChI=1S/C26H37NO3/c1-22(2)20-27-26(28)16-14-12-10-8-6-4-3-5-7-9-11-13-15-23-17-18-24-25(19-23)30-21-29-24/h10-14,16-19,22H,3-9,15,20-21H2,1-2H3,(H,27,28)/b12-10?,13-11+,16-14+ |
| Smiles | CC(C)CNC(=O)/C=C/C=CCCCCCCC/C=C/CC1=CC2=C(C=C1)OCO2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Piper Brachystachyum (Plant) Rel Props:Source_db:cmaup_ingredients