3-[2-[[(E)-3-(3-pyridyl)-acryloyl]amino]ethyl]phenyl acetate

HCID 20701320
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Basic information

Standard SMILES
CC(=O)Oc1cccc(CCNC(=O)/C=C/c2cccnc2)c1
InChIKey
WIXQGOSKYOTXDN-BQYQJAHWSA-N
Molecular formula
C18H18N2O3
Average molar mass
310.3 g/mol

Names & identifiers

Preferred name
3-[2-[[(E)-3-(3-pyridyl)-acryloyl]amino]ethyl]phenyl acetate
IUPAC
[3-[2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]ethyl]phenyl] acetate

Names & synonyms

SCHEMBL7994511WIXQGOSKYOTXDN-BQYQJAHWSA-N3-[2-[[(E) -3-(3-pyridyl)-acryloyl]amino]ethyl]phenyl acetate

Database identifiers

PubChem CID
20701320

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
68.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
23

Related reactions

1 records
New reaction record

Compound notes

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