Compound Identification
SMILES
CC1=NC(CN2CCCN(CC2)C(=O)C2=C(I)C(C)=CC=C2)=CC=C1
InChIKey
InChIKey=GRPBKLOCUCZKNR-UHFFFAOYSA-N
Formula
C20H24IN3O
Mass
449.336
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Toluenes
-
Level 5
Toluamides
-
Level 6
m-Toluamides
- Level 7 N,N-dialkyl-m-toluamides
-
Level 6
m-Toluamides
-
Level 5
Toluamides
-
Subclass
Toluenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Toluenes
Intermediate Tree Nodes
Toluamides - m-Toluamides
Direct Parent
N,N-dialkyl-m-toluamides
Alternative Parents
2-halobenzoic acids and derivatives 6-substituted-2-pyridinylmethylamines Benzamides Benzoyl derivatives 1,4-diazepanes Methylpyridines Iodobenzenes Aralkylamines Aryl iodides Vinylogous halides Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organoiodides Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N,n-dialkyl-m-toluamide - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 6-substituted-2-pyridinylmethylamine - Benzamide - Benzoic acid or derivatives - 2-pyridylmethylamine - Benzoyl - 1,4-diazepane - Iodobenzene - Halobenzene - Methylpyridine - Aralkylamine - Diazepane - Pyridine - Aryl halide - Aryl iodide - Tertiary carboxylic acid amide - Heteroaromatic compound - Vinylogous halide - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organoiodide - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n,n-dialkyl-m-toluamides. These are aromatic that contain a m-toluamide, where the carboxamide group is N- substituted with two alkyl chains.
External Descriptors
Not available