N-[2-[1-[3-[2-(dimethylamino)ethyl]-5-hydroxy-1H-indol-4-yl]indol-3-yl]ethyl]-N-methylacetamide
PubChem CID: 12018181
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 64.5 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 614.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-[2-[1-[3-[2-(dimethylamino)ethyl]-5-hydroxy-1H-indol-4-yl]indol-3-yl]ethyl]-N-methylacetamide |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C25H30N4O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | LJMCWVGWPLWEQP-UHFFFAOYSA-N |
| Fcsp3 | 0.32 |
| Logs | -4.179 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.681 |
| Compound Name | N-[2-[1-[3-[2-(dimethylamino)ethyl]-5-hydroxy-1H-indol-4-yl]indol-3-yl]ethyl]-N-methylacetamide |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 418.237 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 418.237 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 418.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.5353316193548405 |
| Inchi | InChI=1S/C25H30N4O2/c1-17(30)28(4)14-12-19-16-29(22-8-6-5-7-20(19)22)25-23(31)10-9-21-24(25)18(15-26-21)11-13-27(2)3/h5-10,15-16,26,31H,11-14H2,1-4H3 |
| Smiles | CC(=O)N(C)CCC1=CN(C2=CC=CC=C21)C3=C(C=CC4=C3C(=CN4)CCN(C)C)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Arundo Donax (Plant) Rel Props:Source_db:cmaup_ingredients