(12R)-12-hydroxy-N-propyloctadecanamide

C21H43NO2 — CID 53468279

IUPAC(12R)-12-hydroxy-N-propyloctadecanamide
SMILESCCCCCC[C@@H](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)/t20-/m1/s1
InChIKeyQFTUKAANZOUWSY-HXUWFJFHSA-N
MW341.58 g/mol
LogP5.74
Rot. Bonds18

About (12R)-12-hydroxy-N-propyloctadecanamide

(12R)-12-hydroxy-N-propyloctadecanamide (PubChem CID 53468279) has the molecular formula C21H43NO2 and a molecular weight of 341.58 g/mol. Its IUPAC name is (12R)-12-hydroxy-N-propyloctadecanamide.

Molecular Properties

Compound Name(12R)-12-hydroxy-N-propyloctadecanamide
PubChem CID53468279
Molecular FormulaC21H43NO2
Molecular Weight341.58 g/mol
Exact Mass341.33
IUPAC Name(12R)-12-hydroxy-N-propyloctadecanamide
SMILESCCCCCC[C@@H](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)/t20-/m1/s1
InChIKeyQFTUKAANZOUWSY-HXUWFJFHSA-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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Frequently Asked Questions

What is the IUPAC name of (12R)-12-hydroxy-N-propyloctadecanamide?
The IUPAC name of (12R)-12-hydroxy-N-propyloctadecanamide (CID 53468279) is (12R)-12-hydroxy-N-propyloctadecanamide.
What is the SMILES notation for (12R)-12-hydroxy-N-propyloctadecanamide?
The canonical SMILES for (12R)-12-hydroxy-N-propyloctadecanamide is CCCCCC[C@@H](O)CCCCCCCCCCC(=O)NCCC.
What is the InChIKey of (12R)-12-hydroxy-N-propyloctadecanamide?
The InChIKey is QFTUKAANZOUWSY-HXUWFJFHSA-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)/t20-/m1/s1.
What are the key properties of (12R)-12-hydroxy-N-propyloctadecanamide?
(12R)-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 (12R)-12-hydroxy-N-propyloctadecanamide is sourced from PubChem (CID 53468279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).