16-hydroxy-N-octadec-9-enylhexadecanamide

C34H67NO2 — CID 54225311

IUPAC16-hydroxy-N-octadec-9-enylhexadecanamide
SMILESCCCCCCCCC=CCCCCCCCCNC(=O)CCCCCCCCCCCCCCCO
InChIInChI=1S/C34H67NO2/c1-2-3-4-5-6-7-8-9-10-11-14-17-20-23-26-29-32-35-34(37)31-28-25-22-19-16-13-12-15-18-21-24-27-30-33-36/h9-10,36H,2-8,11-33H2,1H3,(H,35,37)
InChIKeyQFKYRJJWGNSJLL-UHFFFAOYSA-N
MW521.92 g/mol
LogP10.59
Rot. Bonds31

About 16-hydroxy-N-octadec-9-enylhexadecanamide

16-hydroxy-N-octadec-9-enylhexadecanamide (PubChem CID 54225311) has the molecular formula C34H67NO2 and a molecular weight of 521.92 g/mol. Its IUPAC name is 16-hydroxy-N-octadec-9-enylhexadecanamide.

Molecular Properties

Compound Name16-hydroxy-N-octadec-9-enylhexadecanamide
PubChem CID54225311
Molecular FormulaC34H67NO2
Molecular Weight521.92 g/mol
Exact Mass521.52
IUPAC Name16-hydroxy-N-octadec-9-enylhexadecanamide
SMILESCCCCCCCCC=CCCCCCCCCNC(=O)CCCCCCCCCCCCCCCO
InChIInChI=1S/C34H67NO2/c1-2-3-4-5-6-7-8-9-10-11-14-17-20-23-26-29-32-35-34(37)31-28-25-22-19-16-13-12-15-18-21-24-27-30-33-36/h9-10,36H,2-8,11-33H2,1H3,(H,35,37)
InChIKeyQFKYRJJWGNSJLL-UHFFFAOYSA-N
XLogP10.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds31
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.92
LogP ≤ 510.59
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 16-hydroxy-N-octadec-9-enylhexadecanamide?
The IUPAC name of 16-hydroxy-N-octadec-9-enylhexadecanamide (CID 54225311) is 16-hydroxy-N-octadec-9-enylhexadecanamide.
What is the SMILES notation for 16-hydroxy-N-octadec-9-enylhexadecanamide?
The canonical SMILES for 16-hydroxy-N-octadec-9-enylhexadecanamide is CCCCCCCCC=CCCCCCCCCNC(=O)CCCCCCCCCCCCCCCO.
What is the InChIKey of 16-hydroxy-N-octadec-9-enylhexadecanamide?
The InChIKey is QFKYRJJWGNSJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H67NO2/c1-2-3-4-5-6-7-8-9-10-11-14-17-20-23-26-29-32-35-34(37)31-28-25-22-19-16-13-12-15-18-21-24-27-30-33-36/h9-10,36H,2-8,11-33H2,1H3,(H,35,37).
What are the key properties of 16-hydroxy-N-octadec-9-enylhexadecanamide?
16-hydroxy-N-octadec-9-enylhexadecanamide has a molecular weight of 521.92 g/mol, XLogP of 10.59, 31 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 16-hydroxy-N-octadec-9-enylhexadecanamide is sourced from PubChem (CID 54225311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).