12-hydroxy-N-propyloctadecanamide

C21H43NO2 — CID 54058531

IUPAC12-hydroxy-N-propyloctadecanamide
SMILESCCCCCCC(O)CCCCCCCCCCC(=O)NCCC
InChIInChI=1S/C21H43NO2/c1-3-5-6-13-16-20(23)17-14-11-9-7-8-10-12-15-18-21(24)22-19-4-2/h20,23H,3-19H2,1-2H3,(H,22,24)
InChIKeyQFTUKAANZOUWSY-UHFFFAOYSA-N
MW341.58 g/mol
LogP5.74
Rot. Bonds18

About 12-hydroxy-N-propyloctadecanamide

12-hydroxy-N-propyloctadecanamide (PubChem CID 54058531) has the molecular formula C21H43NO2 and a molecular weight of 341.58 g/mol. Its IUPAC name is 12-hydroxy-N-propyloctadecanamide.

Molecular Properties

Compound Name12-hydroxy-N-propyloctadecanamide
PubChem CID54058531
Molecular FormulaC21H43NO2
Molecular Weight341.58 g/mol
Exact Mass341.33
IUPAC Name12-hydroxy-N-propyloctadecanamide
SMILESCCCCCCC(O)CCCCCCCCCCC(=O)NCCC
InChIInChI=1S/C21H43NO2/c1-3-5-6-13-16-20(23)17-14-11-9-7-8-10-12-15-18-21(24)22-19-4-2/h20,23H,3-19H2,1-2H3,(H,22,24)
InChIKeyQFTUKAANZOUWSY-UHFFFAOYSA-N
XLogP5.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.58
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 4671
CID 4671
CID 27902
CID 27902
CID 5283573
CID 5283573
CID 8890
CID 8890
CID 3023585
CID 3023585
CID 3787294
CID 3787294
CID 9959390
CID 9959390
CID 61058
CID 61058
CID 9903249
CID 9903249
CID 644245
CID 644245
CID 5283572
CID 5283572
CID 5283574
CID 5283574

Frequently Asked Questions

What is the IUPAC name of 12-hydroxy-N-propyloctadecanamide?
The IUPAC name of 12-hydroxy-N-propyloctadecanamide (CID 54058531) is 12-hydroxy-N-propyloctadecanamide.
What is the SMILES notation for 12-hydroxy-N-propyloctadecanamide?
The canonical SMILES for 12-hydroxy-N-propyloctadecanamide is CCCCCCC(O)CCCCCCCCCCC(=O)NCCC.
What is the InChIKey of 12-hydroxy-N-propyloctadecanamide?
The InChIKey is QFTUKAANZOUWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43NO2/c1-3-5-6-13-16-20(23)17-14-11-9-7-8-10-12-15-18-21(24)22-19-4-2/h20,23H,3-19H2,1-2H3,(H,22,24).
What are the key properties of 12-hydroxy-N-propyloctadecanamide?
12-hydroxy-N-propyloctadecanamide has a molecular weight of 341.58 g/mol, XLogP of 5.74, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-hydroxy-N-propyloctadecanamide is sourced from PubChem (CID 54058531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).