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3-(4-aminophenyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide

HCID 66780543
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CN(Cc1cc2ccccc2n1C)C(=O)C=Cc1ccc(N)cc1
InChIKey
JGTLZJKIHHZHOX-UHFFFAOYSA-N
Molecular formula
C20H21N3O
Average molar mass
319.4 g/mol
Monoisotopic mass
319.1684623

Names & identifiers

Preferred name
3-(4-aminophenyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide
IUPAC
3-(4-aminophenyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide

Names & synonyms

SCHEMBL725472

Database identifiers

PubChem CID
66780543

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
51.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
24
Formal charge
0
Complexity
456

Related reactions

1 records
New reaction record
HRID 959081 reaction equation
HRID 959081As productValidation data from https://doi.org/10.1039/C8SC04228D

Compound notes

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