N-(3,5-dimethoxyphenyl)-2-(1-methoxyindol-3-yl)acetamide
PubChem CID: 141490311
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| Compound Synonyms | CHEMBL4799128, N-(3,5-dimethoxyphenyl)-2-(1-methoxyindol-3-yl)acetamide |
|---|---|
| Topological Polar Surface Area | 61.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 435.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-(3,5-dimethoxyphenyl)-2-(1-methoxyindol-3-yl)acetamide |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C19H20N2O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BQDBJFBJUOQCHM-UHFFFAOYSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -4.88 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.534 |
| Compound Name | N-(3,5-dimethoxyphenyl)-2-(1-methoxyindol-3-yl)acetamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 340.142 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 340.142 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 340.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.2978498 |
| Inchi | InChI=1S/C19H20N2O4/c1-23-15-9-14(10-16(11-15)24-2)20-19(22)8-13-12-21(25-3)18-7-5-4-6-17(13)18/h4-7,9-12H,8H2,1-3H3,(H,20,22) |
| Smiles | COC1=CC(=CC(=C1)NC(=O)CC2=CN(C3=CC=CC=C32)OC)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