2-hydroxy-2,5-dimethylhexanamide

C8H17NO2 — CID 62224009

IUPAC2-hydroxy-2,5-dimethylhexanamide
SMILESCC(C)CCC(C)(O)C(N)=O
InChIInChI=1S/C8H17NO2/c1-6(2)4-5-8(3,11)7(9)10/h6,11H,4-5H2,1-3H3,(H2,9,10)
InChIKeyRETROZZBDSJXLE-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.66
Rot. Bonds4

About 2-hydroxy-2,5-dimethylhexanamide

2-hydroxy-2,5-dimethylhexanamide (PubChem CID 62224009) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-hydroxy-2,5-dimethylhexanamide.

Molecular Properties

Compound Name2-hydroxy-2,5-dimethylhexanamide
PubChem CID62224009
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2-hydroxy-2,5-dimethylhexanamide
SMILESCC(C)CCC(C)(O)C(N)=O
InChIInChI=1S/C8H17NO2/c1-6(2)4-5-8(3,11)7(9)10/h6,11H,4-5H2,1-3H3,(H2,9,10)
InChIKeyRETROZZBDSJXLE-UHFFFAOYSA-N
XLogP0.66
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2,5-dimethylhexanamide?
The IUPAC name of 2-hydroxy-2,5-dimethylhexanamide (CID 62224009) is 2-hydroxy-2,5-dimethylhexanamide.
What is the SMILES notation for 2-hydroxy-2,5-dimethylhexanamide?
The canonical SMILES for 2-hydroxy-2,5-dimethylhexanamide is CC(C)CCC(C)(O)C(N)=O.
What is the InChIKey of 2-hydroxy-2,5-dimethylhexanamide?
The InChIKey is RETROZZBDSJXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-6(2)4-5-8(3,11)7(9)10/h6,11H,4-5H2,1-3H3,(H2,9,10).
What are the key properties of 2-hydroxy-2,5-dimethylhexanamide?
2-hydroxy-2,5-dimethylhexanamide has a molecular weight of 159.23 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2,5-dimethylhexanamide is sourced from PubChem (CID 62224009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).