2-(1-methoxyindol-3-yl)-N-(o-tolyl)acetamide
PubChem CID: 141490258
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| Compound Synonyms | CHEMBL4789511, 2-(1-methoxyindol-3-yl)-N-(o-tolyl)acetamide |
|---|---|
| Topological Polar Surface Area | 43.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 387.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(1-methoxyindol-3-yl)-N-(2-methylphenyl)acetamide |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C18H18N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BPKNRLWCFCCHIU-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -3.884 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.357 |
| Compound Name | 2-(1-methoxyindol-3-yl)-N-(o-tolyl)acetamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 294.137 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 294.137 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 294.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.469640254545455 |
| Inchi | InChI=1S/C18H18N2O2/c1-13-7-3-5-9-16(13)19-18(21)11-14-12-20(22-2)17-10-6-4-8-15(14)17/h3-10,12H,11H2,1-2H3,(H,19,21) |
| Smiles | CC1=CC=CC=C1NC(=O)CC2=CN(C3=CC=CC=C32)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Isatis Tinctoria (Plant) Rel Props:Source_db:cmaup_ingredients