4-Hexadecylaminocinnamic acid

HCID 53928958
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Basic information

Standard SMILES
CCCCCCCCCCCCCCCCNc1ccc(C=CC(=O)O)cc1
InChIKey
IPUKMSXXPQQQGP-UHFFFAOYSA-N
Molecular formula
C25H41NO2
Average molar mass
387.6 g/mol
Monoisotopic mass
387.31372955

Names & identifiers

Preferred name
4-Hexadecylaminocinnamic acid
IUPAC
3-[4-(hexadecylamino)phenyl]prop-2-enoic acid

Names & synonyms

4-hexadecylaminocinnamic acid4-(hexadecylamino)cinnamic acidSCHEMBL11238128IPUKMSXXPQQQGP-UHFFFAOYSA-N

Database identifiers

PubChem CID
53928958

Properties

Computed structural properties

XLogP
9.6
Topological polar surface area
49.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
18
Heavy atoms
28

Related reactions

3 records
New reaction record

Compound notes

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