2-{4-[2-(5-Methoxy-1H-indol-3-yl)-ethylamino]-butyl}-isoindole-1,3-dione
Basic information
- CAS
120991-62-0- Standard SMILES
COc1ccc2[nH]cc(CCNCCCCN3C(=O)c4ccccc4C3=O)c2c1- InChIKey
YBRCEMKCJTVSBU-UHFFFAOYSA-N- Molecular formula
- C23H25N3O3
- Average molar mass
- 391.5 g/mol
- Monoisotopic mass
- 391.18959167
Names & identifiers
- Preferred name
- 2-{4-[2-(5-Methoxy-1H-indol-3-yl)-ethylamino]-butyl}-isoindole-1,3-dione
- IUPAC
- 2-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]butyl]isoindole-1,3-dione
Names & synonyms
CHEMBL586262-(4-{[2-(5-Methoxy-1H-indol-3-yl)ethyl]amino}butyl)-1H-isoindole-1,3(2H)-dione2-[4-[[2-(5-Methoxy-1H-indol-3-yl)ethyl]amino]butyl]-1H-isoindole-1,3(2H)-dioneDTXSID201135648BDBM500184572-{4-[2-(5-Methoxy-1H-indol-3-yl)-ethylamino]-butyl}-isoindole-1,3-dione120991-62-0
Database identifiers
- CAS
120991-62-0- PubChem CID
- 14566705
- DTXSID
DTXSID201135648- ChEMBL
CHEMBL58626
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 74.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 560
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Compound notes
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