N-(1,3-dihydroxyoctadec-4-en-2-yl)tricosanamide
PubChem CID: 5321273
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 69.6 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 45.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 608.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-(1,3-dihydroxyoctadec-4-en-2-yl)tricosanamide |
| Prediction Hob | 0.0 |
| Xlogp | 16.7 |
| Molecular Formula | C41H81NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NAJHAHQNQCNWOP-UHFFFAOYSA-N |
| Fcsp3 | 0.926829268292683 |
| Logs | -3.308 |
| Rotatable Bond Count | 37.0 |
| Logd | 5.298 |
| Compound Name | N-(1,3-dihydroxyoctadec-4-en-2-yl)tricosanamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 635.622 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 635.622 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 636.1 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -12.0455386 |
| Inchi | InChI=1S/C41H81NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-41(45)42-39(38-43)40(44)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h34,36,39-40,43-44H,3-33,35,37-38H2,1-2H3,(H,42,45) |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(C=CCCCCCCCCCCCCC)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Caulerpa Sertularioides (Plant) Rel Props:Source_db:cmaup_ingredients