2-(1-methoxyindol-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID: 141490297
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| Compound Synonyms | CHEMBL4781583, 2-(1-methoxyindol-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide |
|---|---|
| Topological Polar Surface Area | 71.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 477.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(1-methoxyindol-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C20H22N2O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VIYYLAHJFXJYRT-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -4.156 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.286 |
| Compound Name | 2-(1-methoxyindol-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 370.153 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 370.153 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 370.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.366222111111111 |
| Inchi | InChI=1S/C20H22N2O5/c1-24-17-10-14(11-18(25-2)20(17)26-3)21-19(23)9-13-12-22(27-4)16-8-6-5-7-15(13)16/h5-8,10-12H,9H2,1-4H3,(H,21,23) |
| Smiles | COC1=CC(=CC(=C1OC)OC)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