Compound Identification
SMILES
O=C(CCCN1CCC2(CC(=O)N(N3CCOCC3)C2=O)CC1)C1=CC=CC=C1
InChIKey
InChIKey=QWQCBFNAWBDUED-UHFFFAOYSA-N
Formula
C22H29N3O4
Mass
399.491
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
-
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 Azaspirodecane derivatives Aryl alkyl ketones Benzoyl derivatives Pyrrolidine-2-ones Piperidines Morpholines Gamma-amino ketones Dicarboximides Trialkylamines Amino acids and derivatives Lactams Carboxylic acid hydrazides Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Phenylbutylamine - Azaspirodecane - Benzoyl - Aryl alkyl ketone - Monocyclic benzene moiety - Gamma-aminoketone - Morpholine - Oxazinane - Piperidine - Pyrrolidone - 2-pyrrolidone - Benzenoid - Pyrrolidine - Dicarboximide - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid hydrazide - Lactam - Oxacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Amine - Organopnictogen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Aromatic heteropolycyclic 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