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N-(1,3-dimethylpyrazol-4-yl)-2-(4-benzyloxy-2-methoxyphenyl)acetamide

HCID 67304971
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1cc(OCc2ccccc2)ccc1CC(=O)Nc1cn(C)nc1C
InChIKey
HJCXZPTZXKJGMM-UHFFFAOYSA-N
Molecular formula
C21H23N3O3
Average molar mass
365.4 g/mol

Names & identifiers

Preferred name
N-(1,3-dimethylpyrazol-4-yl)-2-(4-benzyloxy-2-methoxyphenyl)acetamide
IUPAC
N-(1,3-dimethylpyrazol-4-yl)-2-(2-methoxy-4-phenylmethoxyphenyl)acetamide

Names & synonyms

SCHEMBL2175292HJCXZPTZXKJGMM-UHFFFAOYSA-NN-(1,3-dimethylpyrazol-4-yl)-2-(4-benzyloxy-2-methoxyphenyl)acetamide

Database identifiers

PubChem CID
67304971

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
65.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
27
Formal charge
0
Complexity
470

Related reactions

2 records
New reaction record
HRID 1009757 reaction equation
HRID 1009757As productuspto-grants-2011_07
HRID 2345876 reaction equation
HRID 2345876As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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