4-hydroxy-N-icosa-5,8,11,14-tetraenylbenzamide

C27H39NO2 — CID 53394478

IUPAC4-hydroxy-N-icosa-5,8,11,14-tetraenylbenzamide
SMILESCCCCCC=CCC=CCC=CCC=CCCCCNC(=O)c1ccc(O)cc1
InChIInChI=1S/C27H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-28-27(30)25-20-22-26(29)23-21-25/h6-7,9-10,12-13,15-16,20-23,29H,2-5,8,11,14,17-19,24H2,1H3,(H,28,30)
InChIKeyXCWBOAHOJHPWLA-UHFFFAOYSA-N
MW409.61 g/mol
LogP7.27
Rot. Bonds16

About 4-hydroxy-N-icosa-5,8,11,14-tetraenylbenzamide

4-hydroxy-N-icosa-5,8,11,14-tetraenylbenzamide (PubChem CID 53394478) has the molecular formula C27H39NO2 and a molecular weight of 409.61 g/mol. Its IUPAC name is 4-hydroxy-N-icosa-5,8,11,14-tetraenylbenzamide.

Molecular Properties

Compound Name4-hydroxy-N-icosa-5,8,11,14-tetraenylbenzamide
PubChem CID53394478
Molecular FormulaC27H39NO2
Molecular Weight409.61 g/mol
Exact Mass409.30
IUPAC Name4-hydroxy-N-icosa-5,8,11,14-tetraenylbenzamide
SMILESCCCCCC=CCC=CCC=CCC=CCCCCNC(=O)c1ccc(O)cc1
InChIInChI=1S/C27H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-28-27(30)25-20-22-26(29)23-21-25/h6-7,9-10,12-13,15-16,20-23,29H,2-5,8,11,14,17-19,24H2,1H3,(H,28,30)
InChIKeyXCWBOAHOJHPWLA-UHFFFAOYSA-N
XLogP7.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.61
LogP ≤ 57.27
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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Related Compounds

4-hydroxy-N-[(5Z,8Z,11Z,14Z)-16-[methyl(pentyl)amino]hexadeca-5,8,11,14-tetraenyl]benzamide;hydrochloride
CID 11562216
N-decyl-4-hydroxybenzamide
CID 15277871
N-octadec-9-enylbenzamide
CID 54554566
4-(icosa-5,8,11,14-tetraenylamino)phenol
CID 66995755
2-(2,5-dihydroxyphenyl)-N-[(E)-heptadec-8-enyl]acetamide
CID 11997099
CID 131885807
CID 131885807
4-bromo-N-pentylbenzamide
CID 4167913
2,6-bis[(9Z,12Z)-octadeca-9,12-dienoxy]-N-[(9Z,12Z)-octadeca-9,12-dienyl]pyridine-4-carboxamide
CID 90399327
(Z)-1-(4-hydroxyphenyl)octadec-9-en-1-one
CID 14228728
4-formyl-N-tricosylbenzamide
CID 166066746
4-formyl-N-octylbenzamide
CID 59691779
N-decyl-4-sulfanylbenzamide
CID 107032455

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-icosa-5,8,11,14-tetraenylbenzamide?
The IUPAC name of 4-hydroxy-N-icosa-5,8,11,14-tetraenylbenzamide (CID 53394478) is 4-hydroxy-N-icosa-5,8,11,14-tetraenylbenzamide.
What is the SMILES notation for 4-hydroxy-N-icosa-5,8,11,14-tetraenylbenzamide?
The canonical SMILES for 4-hydroxy-N-icosa-5,8,11,14-tetraenylbenzamide is CCCCCC=CCC=CCC=CCC=CCCCCNC(=O)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-icosa-5,8,11,14-tetraenylbenzamide?
The InChIKey is XCWBOAHOJHPWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-28-27(30)25-20-22-26(29)23-21-25/h6-7,9-10,12-13,15-16,20-23,29H,2-5,8,11,14,17-19,24H2,1H3,(H,28,30).
What are the key properties of 4-hydroxy-N-icosa-5,8,11,14-tetraenylbenzamide?
4-hydroxy-N-icosa-5,8,11,14-tetraenylbenzamide has a molecular weight of 409.61 g/mol, XLogP of 7.27, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-icosa-5,8,11,14-tetraenylbenzamide is sourced from PubChem (CID 53394478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).