N-(4-hydroxy-2-methylphenyl)icosa-5,8,11,14-tetraenamide

C27H39NO2 — CID 53394508

IUPACN-(4-hydroxy-2-methylphenyl)icosa-5,8,11,14-tetraenamide
SMILESCCCCCC=CCC=CCC=CCC=CCCCC(=O)Nc1ccc(O)cc1C
InChIInChI=1S/C27H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(30)28-26-22-21-25(29)23-24(26)2/h7-8,10-11,13-14,16-17,21-23,29H,3-6,9,12,15,18-20H2,1-2H3,(H,28,30)
InChIKeyWUZWFRWVRHLXHZ-UHFFFAOYSA-N
MW409.61 g/mol
LogP7.78
Rot. Bonds15

About N-(4-hydroxy-2-methylphenyl)icosa-5,8,11,14-tetraenamide

N-(4-hydroxy-2-methylphenyl)icosa-5,8,11,14-tetraenamide (PubChem CID 53394508) has the molecular formula C27H39NO2 and a molecular weight of 409.61 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylphenyl)icosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylphenyl)icosa-5,8,11,14-tetraenamide
PubChem CID53394508
Molecular FormulaC27H39NO2
Molecular Weight409.61 g/mol
Exact Mass409.30
IUPAC NameN-(4-hydroxy-2-methylphenyl)icosa-5,8,11,14-tetraenamide
SMILESCCCCCC=CCC=CCC=CCC=CCCCC(=O)Nc1ccc(O)cc1C
InChIInChI=1S/C27H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(30)28-26-22-21-25(29)23-24(26)2/h7-8,10-11,13-14,16-17,21-23,29H,3-6,9,12,15,18-20H2,1-2H3,(H,28,30)
InChIKeyWUZWFRWVRHLXHZ-UHFFFAOYSA-N
XLogP7.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.61
LogP ≤ 57.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylphenyl)icosa-5,8,11,14-tetraenamide?
The IUPAC name of N-(4-hydroxy-2-methylphenyl)icosa-5,8,11,14-tetraenamide (CID 53394508) is N-(4-hydroxy-2-methylphenyl)icosa-5,8,11,14-tetraenamide.
What is the SMILES notation for N-(4-hydroxy-2-methylphenyl)icosa-5,8,11,14-tetraenamide?
The canonical SMILES for N-(4-hydroxy-2-methylphenyl)icosa-5,8,11,14-tetraenamide is CCCCCC=CCC=CCC=CCC=CCCCC(=O)Nc1ccc(O)cc1C.
What is the InChIKey of N-(4-hydroxy-2-methylphenyl)icosa-5,8,11,14-tetraenamide?
The InChIKey is WUZWFRWVRHLXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(30)28-26-22-21-25(29)23-24(26)2/h7-8,10-11,13-14,16-17,21-23,29H,3-6,9,12,15,18-20H2,1-2H3,(H,28,30).
What are the key properties of N-(4-hydroxy-2-methylphenyl)icosa-5,8,11,14-tetraenamide?
N-(4-hydroxy-2-methylphenyl)icosa-5,8,11,14-tetraenamide has a molecular weight of 409.61 g/mol, XLogP of 7.78, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylphenyl)icosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 53394508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).