2-(1-methoxyindol-3-yl)-N-(4-methoxyphenyl)acetamide
PubChem CID: 141490320
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL4798583, 2-(1-methoxyindol-3-yl)-N-(4-methoxyphenyl)acetamide |
|---|---|
| Topological Polar Surface Area | 52.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 396.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(1-methoxyindol-3-yl)-N-(4-methoxyphenyl)acetamide |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C18H18N2O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PXBGNECBJIHSCJ-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -4.754 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.348 |
| Compound Name | 2-(1-methoxyindol-3-yl)-N-(4-methoxyphenyl)acetamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 310.132 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 310.132 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 310.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8352972956521745 |
| Inchi | InChI=1S/C18H18N2O3/c1-22-15-9-7-14(8-10-15)19-18(21)11-13-12-20(23-2)17-6-4-3-5-16(13)17/h3-10,12H,11H2,1-2H3,(H,19,21) |
| Smiles | COC1=CC=C(C=C1)NC(=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