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3-(allylamino)-N-cyclopropyl-4-methylbenzamide

HCID 67018569
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
C=CCNc1cc(C(=O)NC2CC2)ccc1C
InChIKey
POKPZMDYHFZKPR-UHFFFAOYSA-N
Molecular formula
C14H18N2O
Average molar mass
230.31 g/mol

Names & identifiers

Preferred name
3-(allylamino)-N-cyclopropyl-4-methylbenzamide
IUPAC
N-cyclopropyl-4-methyl-3-(prop-2-enylamino)benzamide

Names & synonyms

SCHEMBL1399816POKPZMDYHFZKPR-UHFFFAOYSA-N3-(allylamino)-N-cyclopropyl-4-methylbenzamide

Database identifiers

PubChem CID
67018569

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
41.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
17
Formal charge
0
Complexity
286

Related reactions

4 records
New reaction record
HRID 507001 reaction equation
HRID 507001As productuspto-grants-2010_08
HRID 507002 reaction equation
HRID 507002As reactantuspto-grants-2010_08
HRID 668032 reaction equation
HRID 668032As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 2339948 reaction equation
HRID 2339948As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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