6-hydroxy-N-propyloctanamide

C11H23NO2 — CID 14558302

IUPAC6-hydroxy-N-propyloctanamide
SMILESCCCNC(=O)CCCCC(O)CC
InChIInChI=1S/C11H23NO2/c1-3-9-12-11(14)8-6-5-7-10(13)4-2/h10,13H,3-9H2,1-2H3,(H,12,14)
InChIKeyLEMUYOBNWUDAGJ-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.84
Rot. Bonds8

About 6-hydroxy-N-propyloctanamide

6-hydroxy-N-propyloctanamide (PubChem CID 14558302) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 6-hydroxy-N-propyloctanamide.

Molecular Properties

Compound Name6-hydroxy-N-propyloctanamide
PubChem CID14558302
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name6-hydroxy-N-propyloctanamide
SMILESCCCNC(=O)CCCCC(O)CC
InChIInChI=1S/C11H23NO2/c1-3-9-12-11(14)8-6-5-7-10(13)4-2/h10,13H,3-9H2,1-2H3,(H,12,14)
InChIKeyLEMUYOBNWUDAGJ-UHFFFAOYSA-N
XLogP1.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.84
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 6-hydroxy-N-propyloctanamide?
The IUPAC name of 6-hydroxy-N-propyloctanamide (CID 14558302) is 6-hydroxy-N-propyloctanamide.
What is the SMILES notation for 6-hydroxy-N-propyloctanamide?
The canonical SMILES for 6-hydroxy-N-propyloctanamide is CCCNC(=O)CCCCC(O)CC.
What is the InChIKey of 6-hydroxy-N-propyloctanamide?
The InChIKey is LEMUYOBNWUDAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-3-9-12-11(14)8-6-5-7-10(13)4-2/h10,13H,3-9H2,1-2H3,(H,12,14).
What are the key properties of 6-hydroxy-N-propyloctanamide?
6-hydroxy-N-propyloctanamide has a molecular weight of 201.31 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-N-propyloctanamide is sourced from PubChem (CID 14558302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).