5-hydroxy-N-octylhexanamide

C14H29NO2 — CID 139658698

IUPAC5-hydroxy-N-octylhexanamide
SMILESCCCCCCCCNC(=O)CCCC(C)O
InChIInChI=1S/C14H29NO2/c1-3-4-5-6-7-8-12-15-14(17)11-9-10-13(2)16/h13,16H,3-12H2,1-2H3,(H,15,17)
InChIKeyOOLMNYJUWQPESU-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.01
Rot. Bonds11

About 5-hydroxy-N-octylhexanamide

5-hydroxy-N-octylhexanamide (PubChem CID 139658698) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 5-hydroxy-N-octylhexanamide.

Molecular Properties

Compound Name5-hydroxy-N-octylhexanamide
PubChem CID139658698
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name5-hydroxy-N-octylhexanamide
SMILESCCCCCCCCNC(=O)CCCC(C)O
InChIInChI=1S/C14H29NO2/c1-3-4-5-6-7-8-12-15-14(17)11-9-10-13(2)16/h13,16H,3-12H2,1-2H3,(H,15,17)
InChIKeyOOLMNYJUWQPESU-UHFFFAOYSA-N
XLogP3.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.01
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 5-hydroxy-N-octylhexanamide?
The IUPAC name of 5-hydroxy-N-octylhexanamide (CID 139658698) is 5-hydroxy-N-octylhexanamide.
What is the SMILES notation for 5-hydroxy-N-octylhexanamide?
The canonical SMILES for 5-hydroxy-N-octylhexanamide is CCCCCCCCNC(=O)CCCC(C)O.
What is the InChIKey of 5-hydroxy-N-octylhexanamide?
The InChIKey is OOLMNYJUWQPESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-3-4-5-6-7-8-12-15-14(17)11-9-10-13(2)16/h13,16H,3-12H2,1-2H3,(H,15,17).
What are the key properties of 5-hydroxy-N-octylhexanamide?
5-hydroxy-N-octylhexanamide has a molecular weight of 243.39 g/mol, XLogP of 3.01, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-octylhexanamide is sourced from PubChem (CID 139658698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).