4-Hexadecylaminobenzoylacetonitrile

HCID 20525834
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Basic information

Standard SMILES
CCCCCCCCCCCCCCCCNc1ccc(C(=O)CC#N)cc1
InChIKey
GQFPKVKHSXFFCT-UHFFFAOYSA-N
Molecular formula
C25H40N2O
Average molar mass
384.6 g/mol

Names & identifiers

Preferred name
4-Hexadecylaminobenzoylacetonitrile
IUPAC
3-[4-(hexadecylamino)phenyl]-3-oxopropanenitrile

Names & synonyms

CHEMBL30304SCHEMBL112330474-hexadecylaminobenzoylacetonitrileGQFPKVKHSXFFCT-UHFFFAOYSA-N

Database identifiers

PubChem CID
20525834
ChEMBL
CHEMBL30304

Properties

Computed structural properties

XLogP
9.2
Topological polar surface area
52.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
18
Heavy atoms
28

Related reactions

1 records
New reaction record

Compound notes

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