N-(5-hydroxypentyl)docos-13-enamide

C27H53NO2 — CID 54013012

IUPACN-(5-hydroxypentyl)docos-13-enamide
SMILESCCCCCCCCC=CCCCCCCCCCCCC(=O)NCCCCCO
InChIInChI=1S/C27H53NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-27(30)28-25-22-20-23-26-29/h9-10,29H,2-8,11-26H2,1H3,(H,28,30)
InChIKeyKTRTWYQAAHCFFL-UHFFFAOYSA-N
MW423.73 g/mol
LogP7.86
Rot. Bonds24

About N-(5-hydroxypentyl)docos-13-enamide

N-(5-hydroxypentyl)docos-13-enamide (PubChem CID 54013012) has the molecular formula C27H53NO2 and a molecular weight of 423.73 g/mol. Its IUPAC name is N-(5-hydroxypentyl)docos-13-enamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)docos-13-enamide
PubChem CID54013012
Molecular FormulaC27H53NO2
Molecular Weight423.73 g/mol
Exact Mass423.41
IUPAC NameN-(5-hydroxypentyl)docos-13-enamide
SMILESCCCCCCCCC=CCCCCCCCCCCCC(=O)NCCCCCO
InChIInChI=1S/C27H53NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-27(30)28-25-22-20-23-26-29/h9-10,29H,2-8,11-26H2,1H3,(H,28,30)
InChIKeyKTRTWYQAAHCFFL-UHFFFAOYSA-N
XLogP7.86
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.73
LogP ≤ 57.86
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

Oleoylethanolamide
CID 5283454
N-Linoleoylethanolamine
CID 5283446
(8Z,11Z,14Z)-N-(2-Hydroxyethyl)-8,11,14-eicosatrienamide
CID 5282272
N-(2-Hydroxyethyl)-7Z,10Z,13Z,16Z-docosatetraenamide
CID 5282273
Palmitoleoyl Ethanolamide
CID 9835868
alpha-Linolenoyl Ethanolamide
CID 5283449
Ricinoleamide MEA
CID 20838731
Oleic monoisopropanolamide
CID 6436066
9-Octadecenamide, N-[2-hydroxy-1-(hydroxymethyl)heptadecyl]-, (9Z)-
CID 6442401
N-(15Z-tetracosenoyl)-sphinganine
CID 5283576
N-(9Z-octadecenoyl)-sphinganine
CID 6442676
(Z)-N-(2-Hydroxyethyl)docos-13-enamide
CID 6436482

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)docos-13-enamide?
The IUPAC name of N-(5-hydroxypentyl)docos-13-enamide (CID 54013012) is N-(5-hydroxypentyl)docos-13-enamide.
What is the SMILES notation for N-(5-hydroxypentyl)docos-13-enamide?
The canonical SMILES for N-(5-hydroxypentyl)docos-13-enamide is CCCCCCCCC=CCCCCCCCCCCCC(=O)NCCCCCO.
What is the InChIKey of N-(5-hydroxypentyl)docos-13-enamide?
The InChIKey is KTRTWYQAAHCFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H53NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-27(30)28-25-22-20-23-26-29/h9-10,29H,2-8,11-26H2,1H3,(H,28,30).
What are the key properties of N-(5-hydroxypentyl)docos-13-enamide?
N-(5-hydroxypentyl)docos-13-enamide has a molecular weight of 423.73 g/mol, XLogP of 7.86, 24 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)docos-13-enamide is sourced from PubChem (CID 54013012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).