Basic information
- CAS
55654-74-5- Standard SMILES
CC(C)NC(=O)C(=O)c1cn(C)c2ccccc12- InChIKey
QTUMANBBBICYRP-UHFFFAOYSA-N- Molecular formula
- C14H16N2O2
- Average molar mass
- 244.29 g/mol
- Monoisotopic mass
- 244.12117776
Names & identifiers
- Preferred name
- Indole-3-glyoxylamide, N-isopropyl-1-methyl-
- IUPAC
- 2-(1-methylindol-3-yl)-2-oxo-N-propan-2-ylacetamide
Names & synonyms
55654-74-5BRN 0214639INDOLE-3-GLYOXYLAMIDE, N-ISOPROPYL-1-METHYL-N-Isopropyl-1-methylindole-3-glyoxylamide1H-Indole-3-acetamide, 1-methyl-N-(1-methylethyl)-alpha-oxo-DTXSID402041814-22-00-03072 (Beilstein Handbook Reference)1H-Indole-3-acetamide, 1-methyl-N-(1-methylethyl)-.alpha.-oxo-RefChem:349329DTXCID40126672N-isopropyl-2-(1-methyl-1H-indol-3-yl)-2-oxoacetamide2-(1-methyl-1H-indol-3-yl)-2-oxo-N-(propan-2-yl)acetamide
Show more names
MLS0007193062-(1-methylindol-3-yl)-2-oxo-N-propan-2-ylacetamideCHEMBL1505718QTUMANBBBICYRP-UHFFFAOYSA-NHMS2727G12STK735012AKOS000643734NCGC00244977-01
Database identifiers
- CAS
55654-74-5- PubChem CID
- 41501
- DTXSID
DTXSID40204181- ChEMBL
CHEMBL1505718
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 341
Experimental & physicochemical properties
Solubility33.3 [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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