Basic information
- CAS
97077-93-5- Standard SMILES
COc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1OC- InChIKey
KQFSCRLJWBDBDM-UHFFFAOYSA-N- Molecular formula
- C19H20N2O3
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.1473925
Names & identifiers
- Preferred name
- N-[2-(1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide
- IUPAC
- N-[2-(1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide
Names & synonyms
N-[2-(1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide97077-93-5Oprea1_418432Oprea1_708114MLS001208102CHEMBL1557895N-[2-(1H-Indol-3-yl)-ethyl]-3,4-dimethoxy-benzamideDTXSID601325897STK007649AKOS000553868SMR000518112ST45109462
Show more names
AT-057/43316773SR-01000475658SR-01000475658-1Z26395603(3,4-dimethoxyphenyl)-N-(2-indol-3-ylethyl)carboxamide
Database identifiers
- CAS
97077-93-5- PubChem CID
- 787253
- DTXSID
DTXSID601325897- ChEMBL
CHEMBL1557895
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 63.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 417
Experimental & physicochemical properties
Solubility32 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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