N-(2-hydroxyphenyl)icosa-5,8,11,14-tetraenamide

C26H37NO2 — CID 54249873

IUPACN-(2-hydroxyphenyl)icosa-5,8,11,14-tetraenamide
SMILESCCCCCC=CCC=CCC=CCC=CCCCC(=O)Nc1ccccc1O
InChIInChI=1S/C26H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-26(29)27-24-21-19-20-22-25(24)28/h6-7,9-10,12-13,15-16,19-22,28H,2-5,8,11,14,17-18,23H2,1H3,(H,27,29)
InChIKeyQVZOWUCARQBOOX-UHFFFAOYSA-N
MW395.59 g/mol
LogP7.48
Rot. Bonds15

About N-(2-hydroxyphenyl)icosa-5,8,11,14-tetraenamide

N-(2-hydroxyphenyl)icosa-5,8,11,14-tetraenamide (PubChem CID 54249873) has the molecular formula C26H37NO2 and a molecular weight of 395.59 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)icosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)icosa-5,8,11,14-tetraenamide
PubChem CID54249873
Molecular FormulaC26H37NO2
Molecular Weight395.59 g/mol
Exact Mass395.28
IUPAC NameN-(2-hydroxyphenyl)icosa-5,8,11,14-tetraenamide
SMILESCCCCCC=CCC=CCC=CCC=CCCCC(=O)Nc1ccccc1O
InChIInChI=1S/C26H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-26(29)27-24-21-19-20-22-25(24)28/h6-7,9-10,12-13,15-16,19-22,28H,2-5,8,11,14,17-18,23H2,1H3,(H,27,29)
InChIKeyQVZOWUCARQBOOX-UHFFFAOYSA-N
XLogP7.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.59
LogP ≤ 57.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N-(4-hydroxy-2,3,5-trimethylphenyl)octadeca-6,9,12-trienamide
CID 57260775
(Z)-N-phenyloctadec-9-enamide
CID 5354590
N-phenyldocos-13-enamide
CID 54224492
N-(2-ethylphenyl)undecanamide
CID 5078439
N-(2-ethylphenyl)heptanamide
CID 4582103
(9Z,12Z)-N-quinolin-8-yloctadeca-9,12-dienamide
CID 162681596
(9E,12E)-N-quinolin-8-yloctadeca-9,12-dienamide
CID 162681597
N-(3-hydroxy-2-methylphenyl)decanamide
CID 65426726
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CID 173339802

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)icosa-5,8,11,14-tetraenamide?
The IUPAC name of N-(2-hydroxyphenyl)icosa-5,8,11,14-tetraenamide (CID 54249873) is N-(2-hydroxyphenyl)icosa-5,8,11,14-tetraenamide.
What is the SMILES notation for N-(2-hydroxyphenyl)icosa-5,8,11,14-tetraenamide?
The canonical SMILES for N-(2-hydroxyphenyl)icosa-5,8,11,14-tetraenamide is CCCCCC=CCC=CCC=CCC=CCCCC(=O)Nc1ccccc1O.
What is the InChIKey of N-(2-hydroxyphenyl)icosa-5,8,11,14-tetraenamide?
The InChIKey is QVZOWUCARQBOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-26(29)27-24-21-19-20-22-25(24)28/h6-7,9-10,12-13,15-16,19-22,28H,2-5,8,11,14,17-18,23H2,1H3,(H,27,29).
What are the key properties of N-(2-hydroxyphenyl)icosa-5,8,11,14-tetraenamide?
N-(2-hydroxyphenyl)icosa-5,8,11,14-tetraenamide has a molecular weight of 395.59 g/mol, XLogP of 7.48, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)icosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 54249873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).