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N-Butyl-2-[3-(2,2-dimethylpropanoyl)-6-methoxy-1H-indazol-1-yl]-N-propylacetamide

HCID 11740930
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCN(CCC)C(=O)Cn1nc(C(=O)C(C)(C)C)c2ccc(OC)cc21
InChIKey
NWPURBDUHDEWQA-UHFFFAOYSA-N
Molecular formula
C22H33N3O3
Average molar mass
387.5 g/mol

Names & identifiers

Preferred name
N-Butyl-2-[3-(2,2-dimethylpropanoyl)-6-methoxy-1H-indazol-1-yl]-N-propylacetamide
IUPAC
N-butyl-2-[3-(2,2-dimethylpropanoyl)-6-methoxyindazol-1-yl]-N-propylacetamide

Names & synonyms

SCHEMBL4012899NWPURBDUHDEWQA-UHFFFAOYSA-NN-Butyl-2-[3-(2,2-dimethylpropanoyl)-6-methoxy-1H-indazol-1-yl]-N-propylacetamide

Database identifiers

PubChem CID
11740930

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
64.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
10
Heavy atoms
28
Formal charge
0
Complexity
532

Related reactions

2 records
New reaction record
HRID 311006 reaction equation
HRID 311006As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 490808 reaction equation
HRID 490808As productuspto-grants-2009_05

Compound notes

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