12-hydroxy-N-(2-hydroxyhexyl)octadecanamide

C24H49NO3 — CID 22735081

IUPAC12-hydroxy-N-(2-hydroxyhexyl)octadecanamide
SMILESCCCCCCC(O)CCCCCCCCCCC(=O)NCC(O)CCCC
InChIInChI=1S/C24H49NO3/c1-3-5-7-14-18-22(26)19-15-12-10-8-9-11-13-16-20-24(28)25-21-23(27)17-6-4-2/h22-23,26-27H,3-21H2,1-2H3,(H,25,28)
InChIKeyJOPKWEAADLAJMB-UHFFFAOYSA-N
MW399.66 g/mol
LogP5.89
Rot. Bonds21

About 12-hydroxy-N-(2-hydroxyhexyl)octadecanamide

12-hydroxy-N-(2-hydroxyhexyl)octadecanamide (PubChem CID 22735081) has the molecular formula C24H49NO3 and a molecular weight of 399.66 g/mol. Its IUPAC name is 12-hydroxy-N-(2-hydroxyhexyl)octadecanamide.

Molecular Properties

Compound Name12-hydroxy-N-(2-hydroxyhexyl)octadecanamide
PubChem CID22735081
Molecular FormulaC24H49NO3
Molecular Weight399.66 g/mol
Exact Mass399.37
IUPAC Name12-hydroxy-N-(2-hydroxyhexyl)octadecanamide
SMILESCCCCCCC(O)CCCCCCCCCCC(=O)NCC(O)CCCC
InChIInChI=1S/C24H49NO3/c1-3-5-7-14-18-22(26)19-15-12-10-8-9-11-13-16-20-24(28)25-21-23(27)17-6-4-2/h22-23,26-27H,3-21H2,1-2H3,(H,25,28)
InChIKeyJOPKWEAADLAJMB-UHFFFAOYSA-N
XLogP5.89
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.66
LogP ≤ 55.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-hydroxy-N-[2-(7-hydroxyoctadecanoylamino)ethyl]octadecanamide
CID 57266771
N-[(2R)-2-hydroxyhexyl]-3-oxododecanamide
CID 167271048
N-(2-hydroxyoctadecyl)-17-oxooctatriacont-29-enamide
CID 54094491
N-[(2S)-2-hydroxyoctadecyl]-31-oxodopentacont-43-enamide
CID 57306980
7-hydroxy-N-octadecyloctadecanamide
CID 57160535
N-(2-hydroxypentyl)pentanamide
CID 115700612
N-(2-hydroxyoctadecyl)-17-oxotetratriaconta-25,28-dienamide
CID 54549112
acetamide;acetylene;N-(2-hydroxypentyl)octanamide
CID 162387958
12-hydroxy-N-[2-hydroxy-3-(12-hydroxyoctadec-9-enoylamino)propyl]octadec-9-enamide
CID 54253409
N,10-dihydroxyoctadecanamide
CID 146268733
4-(decanoylamino)-3-hydroxybutanoic acid
CID 23163718
5-hydroxy-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]dodecanamide
CID 11079412

Frequently Asked Questions

What is the IUPAC name of 12-hydroxy-N-(2-hydroxyhexyl)octadecanamide?
The IUPAC name of 12-hydroxy-N-(2-hydroxyhexyl)octadecanamide (CID 22735081) is 12-hydroxy-N-(2-hydroxyhexyl)octadecanamide.
What is the SMILES notation for 12-hydroxy-N-(2-hydroxyhexyl)octadecanamide?
The canonical SMILES for 12-hydroxy-N-(2-hydroxyhexyl)octadecanamide is CCCCCCC(O)CCCCCCCCCCC(=O)NCC(O)CCCC.
What is the InChIKey of 12-hydroxy-N-(2-hydroxyhexyl)octadecanamide?
The InChIKey is JOPKWEAADLAJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49NO3/c1-3-5-7-14-18-22(26)19-15-12-10-8-9-11-13-16-20-24(28)25-21-23(27)17-6-4-2/h22-23,26-27H,3-21H2,1-2H3,(H,25,28).
What are the key properties of 12-hydroxy-N-(2-hydroxyhexyl)octadecanamide?
12-hydroxy-N-(2-hydroxyhexyl)octadecanamide has a molecular weight of 399.66 g/mol, XLogP of 5.89, 21 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-hydroxy-N-(2-hydroxyhexyl)octadecanamide is sourced from PubChem (CID 22735081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).