N-benzyl-4,5,6-trimethoxy-N-methyl-1H-indole-2-carboxamide
Basic information
- CAS
902029-28-1- Standard SMILES
COc1cc2[nH]c(C(=O)N(C)Cc3ccccc3)cc2c(OC)c1OC- InChIKey
DRYUCWFELRTREE-UHFFFAOYSA-N- Molecular formula
- C20H22N2O4
- Average molar mass
- 354.4 g/mol
- Monoisotopic mass
- 354.15795719
Names & identifiers
- Preferred name
- N-benzyl-4,5,6-trimethoxy-N-methyl-1H-indole-2-carboxamide
- IUPAC
- N-benzyl-4,5,6-trimethoxy-N-methyl-1H-indole-2-carboxamide
Names & synonyms
N-benzyl-4,5,6-trimethoxy-N-methyl-1H-indole-2-carboxamide902029-28-1MLS001216599CHEMBL1599383DTXSID601324944HMS2877L19STK591261AKOS005513548SMR000544038
Database identifiers
- CAS
902029-28-1- PubChem CID
- 4897745
- DTXSID
DTXSID601324944- ChEMBL
CHEMBL1599383
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 469
Experimental & physicochemical properties
Solubility35.7 [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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