18-hydroxy-N-octadec-9-enyloctadec-9-enamide

C36H69NO2 — CID 54452002

IUPAC18-hydroxy-N-octadec-9-enyloctadec-9-enamide
SMILESCCCCCCCCC=CCCCCCCCCNC(=O)CCCCCCCC=CCCCCCCCCO
InChIInChI=1S/C36H69NO2/c1-2-3-4-5-6-7-8-9-10-13-16-19-22-25-28-31-34-37-36(39)33-30-27-24-21-18-15-12-11-14-17-20-23-26-29-32-35-38/h9-12,38H,2-8,13-35H2,1H3,(H,37,39)
InChIKeyWVOXWTOOUAOACI-UHFFFAOYSA-N
MW547.95 g/mol
LogP11.15
Rot. Bonds32

About 18-hydroxy-N-octadec-9-enyloctadec-9-enamide

18-hydroxy-N-octadec-9-enyloctadec-9-enamide (PubChem CID 54452002) has the molecular formula C36H69NO2 and a molecular weight of 547.95 g/mol. Its IUPAC name is 18-hydroxy-N-octadec-9-enyloctadec-9-enamide.

Molecular Properties

Compound Name18-hydroxy-N-octadec-9-enyloctadec-9-enamide
PubChem CID54452002
Molecular FormulaC36H69NO2
Molecular Weight547.95 g/mol
Exact Mass547.53
IUPAC Name18-hydroxy-N-octadec-9-enyloctadec-9-enamide
SMILESCCCCCCCCC=CCCCCCCCCNC(=O)CCCCCCCC=CCCCCCCCCO
InChIInChI=1S/C36H69NO2/c1-2-3-4-5-6-7-8-9-10-13-16-19-22-25-28-31-34-37-36(39)33-30-27-24-21-18-15-12-11-14-17-20-23-26-29-32-35-38/h9-12,38H,2-8,13-35H2,1H3,(H,37,39)
InChIKeyWVOXWTOOUAOACI-UHFFFAOYSA-N
XLogP11.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds32
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.95
LogP ≤ 511.15
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 18-hydroxy-N-octadec-9-enyloctadec-9-enamide?
The IUPAC name of 18-hydroxy-N-octadec-9-enyloctadec-9-enamide (CID 54452002) is 18-hydroxy-N-octadec-9-enyloctadec-9-enamide.
What is the SMILES notation for 18-hydroxy-N-octadec-9-enyloctadec-9-enamide?
The canonical SMILES for 18-hydroxy-N-octadec-9-enyloctadec-9-enamide is CCCCCCCCC=CCCCCCCCCNC(=O)CCCCCCCC=CCCCCCCCCO.
What is the InChIKey of 18-hydroxy-N-octadec-9-enyloctadec-9-enamide?
The InChIKey is WVOXWTOOUAOACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H69NO2/c1-2-3-4-5-6-7-8-9-10-13-16-19-22-25-28-31-34-37-36(39)33-30-27-24-21-18-15-12-11-14-17-20-23-26-29-32-35-38/h9-12,38H,2-8,13-35H2,1H3,(H,37,39).
What are the key properties of 18-hydroxy-N-octadec-9-enyloctadec-9-enamide?
18-hydroxy-N-octadec-9-enyloctadec-9-enamide has a molecular weight of 547.95 g/mol, XLogP of 11.15, 32 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 18-hydroxy-N-octadec-9-enyloctadec-9-enamide is sourced from PubChem (CID 54452002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).