(6S)-6-methyl-N-[(3S)-2-oxoazepan-3-yl]octanamide
PubChem CID: 162983206
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| Topological Polar Surface Area | 58.2 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 292.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (6S)-6-methyl-N-[(3S)-2-oxoazepan-3-yl]octanamide |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C15H28N2O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | KHXOPNKILPCHOZ-STQMWFEESA-N |
| Fcsp3 | 0.8666666666666667 |
| Logs | -2.911 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.212 |
| Compound Name | (6S)-6-methyl-N-[(3S)-2-oxoazepan-3-yl]octanamide |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 268.215 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 268.215 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 268.39 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.373086199999999 |
| Inchi | InChI=1S/C15H28N2O2/c1-3-12(2)8-4-5-10-14(18)17-13-9-6-7-11-16-15(13)19/h12-13H,3-11H2,1-2H3,(H,16,19)(H,17,18)/t12-,13-/m0/s1 |
| Smiles | CC[C@H](C)CCCCC(=O)N[C@H]1CCCCNC1=O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Turraea Parvifolia (Plant) Rel Props:Source_db:cmaup_ingredients