N-(6-hydroxyhexyl)acetamide

C8H17NO2 — CID 12571395

IUPACN-(6-hydroxyhexyl)acetamide
SMILESCC(=O)NCCCCCCO
InChIInChI=1S/C8H17NO2/c1-8(11)9-6-4-2-3-5-7-10/h10H,2-7H2,1H3,(H,9,11)
InChIKeyVJPODIJDERZHMG-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.68
Rot. Bonds6

About N-(6-hydroxyhexyl)acetamide

N-(6-hydroxyhexyl)acetamide (PubChem CID 12571395) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is N-(6-hydroxyhexyl)acetamide.

Molecular Properties

Compound NameN-(6-hydroxyhexyl)acetamide
PubChem CID12571395
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC NameN-(6-hydroxyhexyl)acetamide
SMILESCC(=O)NCCCCCCO
InChIInChI=1S/C8H17NO2/c1-8(11)9-6-4-2-3-5-7-10/h10H,2-7H2,1H3,(H,9,11)
InChIKeyVJPODIJDERZHMG-UHFFFAOYSA-N
XLogP0.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.68
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 N-(6-hydroxyhexyl)acetamide?
The IUPAC name of N-(6-hydroxyhexyl)acetamide (CID 12571395) is N-(6-hydroxyhexyl)acetamide.
What is the SMILES notation for N-(6-hydroxyhexyl)acetamide?
The canonical SMILES for N-(6-hydroxyhexyl)acetamide is CC(=O)NCCCCCCO.
What is the InChIKey of N-(6-hydroxyhexyl)acetamide?
The InChIKey is VJPODIJDERZHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-8(11)9-6-4-2-3-5-7-10/h10H,2-7H2,1H3,(H,9,11).
What are the key properties of N-(6-hydroxyhexyl)acetamide?
N-(6-hydroxyhexyl)acetamide has a molecular weight of 159.23 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxyhexyl)acetamide is sourced from PubChem (CID 12571395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).