N-[2-(1H-indol-3-yl)ethyl]-2-(methylamino)benzamide
PubChem CID: 5319506
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| Compound Synonyms | CHEMBL4785042, BDBM50551607 |
|---|---|
| Topological Polar Surface Area | 56.9 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 373.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-[2-(1H-indol-3-yl)ethyl]-2-(methylamino)benzamide |
| Prediction Hob | 1.0 |
| Xlogp | 4.0 |
| Molecular Formula | C18H19N3O |
| Prediction Swissadme | 0.0 |
| Inchi Key | ALKZZCZKVMJWBG-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -3.827 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.545 |
| Compound Name | N-[2-(1H-indol-3-yl)ethyl]-2-(methylamino)benzamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 293.153 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 293.153 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 293.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.466839454545455 |
| Inchi | InChI=1S/C18H19N3O/c1-19-16-8-4-3-7-15(16)18(22)20-11-10-13-12-21-17-9-5-2-6-14(13)17/h2-9,12,19,21H,10-11H2,1H3,(H,20,22) |
| Smiles | CNC1=CC=CC=C1C(=O)NCCC2=CNC3=CC=CC=C32 |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Tetradium Ruticarpum (Plant) Rel Props:Source_db:cmaup_ingredients