N-[(3-hydroxy-4-methoxyphenyl)methyl]-7-methyloctanamide
PubChem CID: 5320207
Connections displayed (default: 10).
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| Topological Polar Surface Area | 58.6 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 294.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-[(3-hydroxy-4-methoxyphenyl)methyl]-7-methyloctanamide |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C17H27NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SZBIRQGCLHIEMW-UHFFFAOYSA-N |
| Fcsp3 | 0.5882352941176471 |
| Logs | -3.285 |
| Rotatable Bond Count | 9.0 |
| Logd | 3.662 |
| Compound Name | N-[(3-hydroxy-4-methoxyphenyl)methyl]-7-methyloctanamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 293.199 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 293.199 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 293.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.0674519714285715 |
| Inchi | InChI=1S/C17H27NO3/c1-13(2)7-5-4-6-8-17(20)18-12-14-9-10-16(21-3)15(19)11-14/h9-11,13,19H,4-8,12H2,1-3H3,(H,18,20) |
| Smiles | CC(C)CCCCCC(=O)NCC1=CC(=C(C=C1)OC)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Clausena Dentata (Plant) Rel Props:Source_db:cmaup_ingredients