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4-[N-(4-Methoxybenzoyl)-N-methylamino]benzoic acid

HCID 21939734
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(C(=O)N(C)c2ccc(C(=O)O)cc2)cc1
InChIKey
ZZDHQVVBQNOVAS-UHFFFAOYSA-N
Molecular formula
C16H15NO4
Average molar mass
285.29 g/mol

Names & identifiers

Preferred name
4-[N-(4-Methoxybenzoyl)-N-methylamino]benzoic acid
IUPAC
4-[(4-methoxybenzoyl)-methylamino]benzoic acid

Names & synonyms

SCHEMBL5582735ZZDHQVVBQNOVAS-UHFFFAOYSA-N4-[N-(4-Methoxybenzoyl)-N-methylamino]benzoic acid

Database identifiers

PubChem CID
21939734

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
66.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
21
Formal charge
0
Complexity
368

Related reactions

4 records
New reaction record
HRID 315547 reaction equation
HRID 315547As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 1242893 reaction equation
HRID 1242893As productuspto-grants-2006_10
HRID 1242894 reaction equation
HRID 1242894As reactantuspto-grants-2006_10
HRID 2162043 reaction equation
HRID 2162043As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes