4,5,6-trimethoxy-N-(2-phenylethyl)-1H-indole-2-carboxamide
Basic information
- CAS
900294-18-0- Standard SMILES
COc1cc2[nH]c(C(=O)NCCc3ccccc3)cc2c(OC)c1OC- InChIKey
SNLLGCQOCHIFAH-UHFFFAOYSA-N- Molecular formula
- C20H22N2O4
- Average molar mass
- 354.4 g/mol
- Monoisotopic mass
- 354.15795719
Names & identifiers
- Preferred name
- 4,5,6-trimethoxy-N-(2-phenylethyl)-1H-indole-2-carboxamide
- IUPAC
- 4,5,6-trimethoxy-N-(2-phenylethyl)-1H-indole-2-carboxamide
Names & synonyms
4,5,6-trimethoxy-N-(2-phenylethyl)-1H-indole-2-carboxamide900294-18-0MLS0012141404,5,6-trimethoxy-N-phenethyl-1H-indole-2-carboxamideCHEMBL1592640DTXSID201325469HMS2854L16STK596284AKOS005517935SMR000543923
Database identifiers
- CAS
900294-18-0- PubChem CID
- 4870182
- DTXSID
DTXSID201325469- ChEMBL
CHEMBL1592640
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 455
Experimental & physicochemical properties
Solubility20.3 [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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