N-[2-(4-hydroxyphenyl)ethyl]tetradeca-5,8,11-trienamide

C22H31NO2 — CID 73240729

IUPACN-[2-(4-hydroxyphenyl)ethyl]tetradeca-5,8,11-trienamide
SMILESCCC=CCC=CCC=CCCCC(=O)NCCc1ccc(O)cc1
InChIInChI=1S/C22H31NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-22(25)23-19-18-20-14-16-21(24)17-15-20/h3-4,6-7,9-10,14-17,24H,2,5,8,11-13,18-19H2,1H3,(H,23,25)
InChIKeyXAMOJFHBVRVLCL-UHFFFAOYSA-N
MW341.50 g/mol
LogP5.08
Rot. Bonds12

About N-[2-(4-hydroxyphenyl)ethyl]tetradeca-5,8,11-trienamide

N-[2-(4-hydroxyphenyl)ethyl]tetradeca-5,8,11-trienamide (PubChem CID 73240729) has the molecular formula C22H31NO2 and a molecular weight of 341.50 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)ethyl]tetradeca-5,8,11-trienamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)ethyl]tetradeca-5,8,11-trienamide
PubChem CID73240729
Molecular FormulaC22H31NO2
Molecular Weight341.50 g/mol
Exact Mass341.24
IUPAC NameN-[2-(4-hydroxyphenyl)ethyl]tetradeca-5,8,11-trienamide
SMILESCCC=CCC=CCC=CCCCC(=O)NCCc1ccc(O)cc1
InChIInChI=1S/C22H31NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-22(25)23-19-18-20-14-16-21(24)17-15-20/h3-4,6-7,9-10,14-17,24H,2,5,8,11-13,18-19H2,1H3,(H,23,25)
InChIKeyXAMOJFHBVRVLCL-UHFFFAOYSA-N
XLogP5.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.50
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]tetradeca-5,8,11-trienamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]tetradeca-5,8,11-trienamide (CID 73240729) is N-[2-(4-hydroxyphenyl)ethyl]tetradeca-5,8,11-trienamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]tetradeca-5,8,11-trienamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]tetradeca-5,8,11-trienamide is CCC=CCC=CCC=CCCCC(=O)NCCc1ccc(O)cc1.
What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]tetradeca-5,8,11-trienamide?
The InChIKey is XAMOJFHBVRVLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-22(25)23-19-18-20-14-16-21(24)17-15-20/h3-4,6-7,9-10,14-17,24H,2,5,8,11-13,18-19H2,1H3,(H,23,25).
What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]tetradeca-5,8,11-trienamide?
N-[2-(4-hydroxyphenyl)ethyl]tetradeca-5,8,11-trienamide has a molecular weight of 341.50 g/mol, XLogP of 5.08, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)ethyl]tetradeca-5,8,11-trienamide is sourced from PubChem (CID 73240729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).