2-ethyl-N-hydroxyhexanamide

C8H17NO2 — CID 5044227

IUPAC2-ethyl-N-hydroxyhexanamide
SMILESCCCCC(CC)C(=O)NO
InChIInChI=1S/C8H17NO2/c1-3-5-6-7(4-2)8(10)9-11/h7,11H,3-6H2,1-2H3,(H,9,10)
InChIKeyOHMSHECKDPWUIC-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.71
Rot. Bonds5

About 2-ethyl-N-hydroxyhexanamide

2-ethyl-N-hydroxyhexanamide (PubChem CID 5044227) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-ethyl-N-hydroxyhexanamide.

Molecular Properties

Compound Name2-ethyl-N-hydroxyhexanamide
PubChem CID5044227
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2-ethyl-N-hydroxyhexanamide
SMILESCCCCC(CC)C(=O)NO
InChIInChI=1S/C8H17NO2/c1-3-5-6-7(4-2)8(10)9-11/h7,11H,3-6H2,1-2H3,(H,9,10)
InChIKeyOHMSHECKDPWUIC-UHFFFAOYSA-N
XLogP1.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-hydroxyhexanamide?
The IUPAC name of 2-ethyl-N-hydroxyhexanamide (CID 5044227) is 2-ethyl-N-hydroxyhexanamide.
What is the SMILES notation for 2-ethyl-N-hydroxyhexanamide?
The canonical SMILES for 2-ethyl-N-hydroxyhexanamide is CCCCC(CC)C(=O)NO.
What is the InChIKey of 2-ethyl-N-hydroxyhexanamide?
The InChIKey is OHMSHECKDPWUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-3-5-6-7(4-2)8(10)9-11/h7,11H,3-6H2,1-2H3,(H,9,10).
What are the key properties of 2-ethyl-N-hydroxyhexanamide?
2-ethyl-N-hydroxyhexanamide has a molecular weight of 159.23 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-hydroxyhexanamide is sourced from PubChem (CID 5044227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).