2-(1-methoxyindol-3-yl)-N-phenyl-acetamide
PubChem CID: 141490353
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| Compound Synonyms | CHEMBL4777991, 2-(1-methoxyindol-3-yl)-N-phenyl-acetamide |
|---|---|
| Topological Polar Surface Area | 43.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 355.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(1-methoxyindol-3-yl)-N-phenylacetamide |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C17H16N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QPUSSAJIHHLTAH-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -4.403 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.427 |
| Compound Name | 2-(1-methoxyindol-3-yl)-N-phenyl-acetamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 280.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 280.121 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 280.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.179898828571428 |
| Inchi | InChI=1S/C17H16N2O2/c1-21-19-12-13(15-9-5-6-10-16(15)19)11-17(20)18-14-7-3-2-4-8-14/h2-10,12H,11H2,1H3,(H,18,20) |
| Smiles | CON1C=C(C2=CC=CC=C21)CC(=O)NC3=CC=CC=C3 |
| 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