N-(3,4-dimethylphenyl)-2-(1-methoxyindol-3-yl)acetamide
PubChem CID: 141490310
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| Compound Synonyms | CHEMBL4795423, N-(3,4-dimethylphenyl)-2-(1-methoxyindol-3-yl)acetamide |
|---|---|
| Topological Polar Surface Area | 43.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 414.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-(3,4-dimethylphenyl)-2-(1-methoxyindol-3-yl)acetamide |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C19H20N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZSUUXHPWZCCQEP-UHFFFAOYSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -5.565 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.949 |
| Compound Name | N-(3,4-dimethylphenyl)-2-(1-methoxyindol-3-yl)acetamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 308.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 308.152 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 308.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.367870895652175 |
| Inchi | InChI=1S/C19H20N2O2/c1-13-8-9-16(10-14(13)2)20-19(22)11-15-12-21(23-3)18-7-5-4-6-17(15)18/h4-10,12H,11H2,1-3H3,(H,20,22) |
| Smiles | CC1=C(C=C(C=C1)NC(=O)CC2=CN(C3=CC=CC=C32)OC)C |
| 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