Compound Identification
SMILES
C[C@]12CCC3[C@@H](CCC4CNC(=O)CC[C@]34C)C1CC[C@@H]2OC(=O)CCCC1=CC=C(C=C1)N(CCCl)CCCl
InChIKey
InChIKey=HYLPWZVQLIFGBY-GCFFKVRXSA-N
Formula
C33H48Cl2N2O3
Mass
591.66
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactams
- Subclass Caprolactams
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Class
Lactams
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Lactams
Subclass
Caprolactams
Intermediate Tree Nodes
Not available
Direct Parent
Caprolactams
Alternative Parents
Aniline and substituted anilines Dialkylarylamines Nitrogen mustard compounds Azepanes Fatty acid esters Amino acids and derivatives Carboxylic acid esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Carbonyl compounds Alkyl chlorides Organochlorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrogen mustard - Caprolactam - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Azepane - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Tertiary amine - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Alkyl chloride - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as caprolactams. These are cyclic amides of caproic acid. Caproic acid is the carboxylic acid derived from hexane with the general formula C5H11COOH.
External Descriptors
Not available