Compound Identification
SMILES
COC(=O)CCC(=O)C1=C(OCC(O)CNC(C)(C)C)C=CC(N)=C1
InChIKey
InChIKey=PBTGDGIFCZQZHC-UHFFFAOYSA-N
Formula
C18H28N2O5
Mass
352.431
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
Butyrophenones Aminophenyl ethers Aniline and substituted anilines Phenoxy compounds Aryl alkyl ketones Benzoyl derivatives Gamma-keto acids and derivatives Alkyl aryl ethers Fatty acid methyl esters Methyl esters Secondary alcohols Amino acids and derivatives 1,2-aminoalcohols Dialkylamines Monocarboxylic acids and derivatives Organic oxides Primary amines Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Aminophenyl ether - Benzoyl - Gamma-keto acid - Phenol ether - Aryl alkyl ketone - Aniline or substituted anilines - Phenoxy compound - Fatty acid ester - Fatty acid methyl ester - Alkyl aryl ether - Fatty acyl - Monocyclic benzene moiety - Benzenoid - Keto acid - Methyl ester - Amino acid or derivatives - Secondary alcohol - Carboxylic acid ester - 1,2-aminoalcohol - Secondary amine - Monocarboxylic acid or derivatives - Ether - Secondary aliphatic amine - Carboxylic acid derivative - Organonitrogen compound - Organic nitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - Primary amine - Alcohol - 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