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6-Hydroxy-1,2-dimethyl-1H-indole-3-carboxylic acid Butylamide

HCID 20767904
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCNC(=O)c1c(C)n(C)c2cc(O)ccc12
InChIKey
OFJPRJFJYATTGE-UHFFFAOYSA-N
Molecular formula
C15H20N2O2
Average molar mass
260.33 g/mol
Monoisotopic mass
260.15247789

Names & identifiers

Preferred name
6-Hydroxy-1,2-dimethyl-1H-indole-3-carboxylic acid Butylamide
IUPAC
N-butyl-6-hydroxy-1,2-dimethylindole-3-carboxamide

Names & synonyms

SCHEMBL5240297OFJPRJFJYATTGE-UHFFFAOYSA-N6-Hydroxy-1,2-dimethyl-1H-indole-3-carboxylic acid Butylamide

Database identifiers

PubChem CID
20767904

Properties

Computed structural propertiesFilling in

XLogP
2.6
Topological polar surface area
54.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
19
Formal charge
0
Complexity
321

Related reactions

3 records
New reaction record
HRID 985256 reaction equation
HRID 985256As productuspto-grants-2005_03
HRID 1562566 reaction equation
HRID 1562566As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1825137 reaction equation
HRID 1825137As productuspto-grants-2006_05

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes