N-(2-hydroxyethyl)hexanamide

C8H17NO2 — CID 559170

IUPACN-(2-hydroxyethyl)hexanamide
SMILESCCCCCC(=O)NCCO
InChIInChI=1S/C8H17NO2/c1-2-3-4-5-8(11)9-6-7-10/h10H,2-7H2,1H3,(H,9,11)
InChIKeyHVVJCLNYMSTOMR-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.68
Rot. Bonds6

About N-(2-hydroxyethyl)hexanamide

N-(2-hydroxyethyl)hexanamide (PubChem CID 559170) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is N-(2-hydroxyethyl)hexanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)hexanamide
PubChem CID559170
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC NameN-(2-hydroxyethyl)hexanamide
SMILESCCCCCC(=O)NCCO
InChIInChI=1S/C8H17NO2/c1-2-3-4-5-8(11)9-6-7-10/h10H,2-7H2,1H3,(H,9,11)
InChIKeyHVVJCLNYMSTOMR-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'}

Analyze N-(2-hydroxyethyl)hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)hexanamide?
The IUPAC name of N-(2-hydroxyethyl)hexanamide (CID 559170) is N-(2-hydroxyethyl)hexanamide.
What is the SMILES notation for N-(2-hydroxyethyl)hexanamide?
The canonical SMILES for N-(2-hydroxyethyl)hexanamide is CCCCCC(=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)hexanamide?
The InChIKey is HVVJCLNYMSTOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-2-3-4-5-8(11)9-6-7-10/h10H,2-7H2,1H3,(H,9,11).
What are the key properties of N-(2-hydroxyethyl)hexanamide?
N-(2-hydroxyethyl)hexanamide 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-(2-hydroxyethyl)hexanamide is sourced from PubChem (CID 559170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).