N-[2-(1,3,3,7-tetramethyl-8-oxo-2,4,6,7-tetrahydroisoquinolin-6-yl)propan-2-yl]acetamide
PubChem CID: 141483932
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| Compound Synonyms | CHEMBL4173610 |
|---|---|
| Topological Polar Surface Area | 58.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 582.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-[2-(1,3,3,7-tetramethyl-8-oxo-2,4,6,7-tetrahydroisoquinolin-6-yl)propan-2-yl]acetamide |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C18H28N2O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YCVUOIBIXGCURG-UHFFFAOYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -2.738 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.355 |
| Compound Name | N-[2-(1,3,3,7-tetramethyl-8-oxo-2,4,6,7-tetrahydroisoquinolin-6-yl)propan-2-yl]acetamide |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 304.215 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 304.215 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 304.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.0066908000000003 |
| Inchi | InChI=1S/C18H28N2O2/c1-10-14(18(6,7)20-12(3)21)8-13-9-17(4,5)19-11(2)15(13)16(10)22/h8,10,14,19H,9H2,1-7H3,(H,20,21) |
| Smiles | CC1C(C=C2CC(NC(=C2C1=O)C)(C)C)C(C)(C)NC(=O)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Anacyclus Pyrethrum (Plant) Rel Props:Source_db:cmaup_ingredients