Compound Identification
SMILES
CN(C)C1=CC(C(=O)CCC(N)C(O)=O)=C(N)C=C1
InChIKey
InChIKey=OOPXTFZIAYQFOM-UHFFFAOYSA-N
Formula
C13H19N3O3
Mass
265.313
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Alkyl-phenylketones
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Level 7
Phenylketones
-
Level 6
Aryl ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones - Phenylketones
Direct Parent
Alkyl-phenylketones
Alternative Parents
Phenylbutylamines Butyrophenones Alpha amino acids Aniline and substituted anilines Aryl alkyl ketones Benzoyl derivatives Dialkylarylamines Medium-chain fatty acids Amino fatty acids Gamma-amino ketones Vinylogous amides Amino acids Carboxylic acids Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Monoalkylamines
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Phenylbutylamine - Alpha-amino acid - Alpha-amino acid or derivatives - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aryl alkyl ketone - Medium-chain fatty acid - Amino fatty acid - Monocyclic benzene moiety - Fatty acyl - Gamma-aminoketone - Fatty acid - Benzenoid - Vinylogous amide - Amino acid or derivatives - Tertiary amine - Amino acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organonitrogen compound - Primary aliphatic amine - Amine - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Primary amine - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors
Not available