3-(4-hydroxyphenyl)-N-trideca-1,3-dienylpropanamide

C22H33NO2 — CID 163028124

IUPAC3-(4-hydroxyphenyl)-N-trideca-1,3-dienylpropanamide
SMILESCCCCCCCCCC=CC=CNC(=O)CCc1ccc(O)cc1
InChIInChI=1S/C22H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-19-23-22(25)18-15-20-13-16-21(24)17-14-20/h10-14,16-17,19,24H,2-9,15,18H2,1H3,(H,23,25)
InChIKeyFTLUXLKBUQDYAN-UHFFFAOYSA-N
MW343.51 g/mol
LogP5.65
Rot. Bonds13

About 3-(4-hydroxyphenyl)-N-trideca-1,3-dienylpropanamide

3-(4-hydroxyphenyl)-N-trideca-1,3-dienylpropanamide (PubChem CID 163028124) has the molecular formula C22H33NO2 and a molecular weight of 343.51 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-N-trideca-1,3-dienylpropanamide.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-N-trideca-1,3-dienylpropanamide
PubChem CID163028124
Molecular FormulaC22H33NO2
Molecular Weight343.51 g/mol
Exact Mass343.25
IUPAC Name3-(4-hydroxyphenyl)-N-trideca-1,3-dienylpropanamide
SMILESCCCCCCCCCC=CC=CNC(=O)CCc1ccc(O)cc1
InChIInChI=1S/C22H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-19-23-22(25)18-15-20-13-16-21(24)17-14-20/h10-14,16-17,19,24H,2-9,15,18H2,1H3,(H,23,25)
InChIKeyFTLUXLKBUQDYAN-UHFFFAOYSA-N
XLogP5.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.51
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[(E)-dodec-1-enyl]hexanediamide
CID 101279984
calcium;hydride;(Z)-octadec-9-enoic acid;4-octadecylphenol
CID 174935211
11-decylsulfanyl-N-[3-(4-hydroxyphenyl)propanoyl]undecanamide
CID 18983659
2-(4-hydroxyphenyl)ethyl (E)-octadec-9-enoate
CID 21044048
(2E,4E)-dodeca-2,4-diene;2-(4-hydroxyphenyl)acetamide
CID 118377657
N-dodec-1-enyl-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 57250205
N-[2-(4-hydroxyphenyl)ethyl]hexanamide
CID 21446637
N-[4-[2-(4-hydroxyphenyl)ethylamino]-4-oxobutyl]docosanamide
CID 59789165
CID 162318522
CID 162318522
tris(4-octylphenol);propane
CID 90866185
nickel;4-octylphenol
CID 87833867
(9E,11E,13E)-N'-(2-phenylethyl)octadeca-9,11,13-trienehydrazide
CID 6434381

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-N-trideca-1,3-dienylpropanamide?
The IUPAC name of 3-(4-hydroxyphenyl)-N-trideca-1,3-dienylpropanamide (CID 163028124) is 3-(4-hydroxyphenyl)-N-trideca-1,3-dienylpropanamide.
What is the SMILES notation for 3-(4-hydroxyphenyl)-N-trideca-1,3-dienylpropanamide?
The canonical SMILES for 3-(4-hydroxyphenyl)-N-trideca-1,3-dienylpropanamide is CCCCCCCCCC=CC=CNC(=O)CCc1ccc(O)cc1.
What is the InChIKey of 3-(4-hydroxyphenyl)-N-trideca-1,3-dienylpropanamide?
The InChIKey is FTLUXLKBUQDYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-19-23-22(25)18-15-20-13-16-21(24)17-14-20/h10-14,16-17,19,24H,2-9,15,18H2,1H3,(H,23,25).
What are the key properties of 3-(4-hydroxyphenyl)-N-trideca-1,3-dienylpropanamide?
3-(4-hydroxyphenyl)-N-trideca-1,3-dienylpropanamide has a molecular weight of 343.51 g/mol, XLogP of 5.65, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-N-trideca-1,3-dienylpropanamide is sourced from PubChem (CID 163028124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).