N-[(1,2-dimethylindol-5-yl)methyl]-2-phenoxyacetamide
Basic information
- CAS
852137-61-2- Standard SMILES
Cc1cc2cc(CNC(=O)COc3ccccc3)ccc2n1C- InChIKey
YPFLGYCXKAHFLY-UHFFFAOYSA-N- Molecular formula
- C19H20N2O2
- Average molar mass
- 308.4 g/mol
- Monoisotopic mass
- 308.15247789
Names & identifiers
- Preferred name
- N-[(1,2-dimethylindol-5-yl)methyl]-2-phenoxyacetamide
- IUPAC
- N-[(1,2-dimethylindol-5-yl)methyl]-2-phenoxyacetamide
Names & synonyms
852137-61-2N-[(1,2-dimethylindol-5-yl)methyl]-2-phenoxyacetamideN-((1,2-dimethyl-1H-indol-5-yl)methyl)-2-phenoxyacetamideN-[(1,2-dimethyl-1H-indol-5-yl)methyl]-2-phenoxyacetamideMLS000420181IFLab1_003012CHEMBL1352353DTXSID101329006HMS1420I20HMS2745L21AKOS024591984IDI1_009471
Show more names
SMR000319973SR-01000097162SR-01000097162-1F0651-0208
Database identifiers
- CAS
852137-61-2- PubChem CID
- 4606333
- DTXSID
DTXSID101329006- ChEMBL
CHEMBL1352353
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 43.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 395
Experimental & physicochemical properties
Solubility5.2 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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