3-hydroxy-4,5-dimethylhexanamide

C8H17NO2 — CID 89154230

IUPAC3-hydroxy-4,5-dimethylhexanamide
SMILESCC(C)C(C)C(O)CC(N)=O
InChIInChI=1S/C8H17NO2/c1-5(2)6(3)7(10)4-8(9)11/h5-7,10H,4H2,1-3H3,(H2,9,11)
InChIKeyDESPVUHIQNZDDP-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.51
Rot. Bonds4

About 3-hydroxy-4,5-dimethylhexanamide

3-hydroxy-4,5-dimethylhexanamide (PubChem CID 89154230) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-hydroxy-4,5-dimethylhexanamide.

Molecular Properties

Compound Name3-hydroxy-4,5-dimethylhexanamide
PubChem CID89154230
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name3-hydroxy-4,5-dimethylhexanamide
SMILESCC(C)C(C)C(O)CC(N)=O
InChIInChI=1S/C8H17NO2/c1-5(2)6(3)7(10)4-8(9)11/h5-7,10H,4H2,1-3H3,(H2,9,11)
InChIKeyDESPVUHIQNZDDP-UHFFFAOYSA-N
XLogP0.51
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 ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methylbutanamide
CID 87933309
5-hydroxy-2,6,7-trimethyloctan-3-one
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(3S,4S)-3-hydroxy-4-methyl-5-oxopentanamide
CID 121479436
(2S,3S)-2,3-dihydroxypentanediamide
CID 131227840
4-hydroxy-3-methylpentanamide
CID 21402958
(3S,4R)-3-hydroxy-4-methyl-6-oxohexanamide
CID 118374709
5-methyl-3-(2-methylpropyl)hexanamide
CID 87709322
(3S)-3-aminobutanamide;hydrochloride
CID 57478871
(4S)-3-amino-4,5-dihydroxypentanamide
CID 55255995
(3S,4R,6E)-3-hydroxy-6-hydroxyimino-4-methylhexanamide
CID 118374581
(2R)-2-(2-methylpropyl)butanediamide
CID 22942178
3-methylbutanamide;propanal
CID 145275365

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4,5-dimethylhexanamide?
The IUPAC name of 3-hydroxy-4,5-dimethylhexanamide (CID 89154230) is 3-hydroxy-4,5-dimethylhexanamide.
What is the SMILES notation for 3-hydroxy-4,5-dimethylhexanamide?
The canonical SMILES for 3-hydroxy-4,5-dimethylhexanamide is CC(C)C(C)C(O)CC(N)=O.
What is the InChIKey of 3-hydroxy-4,5-dimethylhexanamide?
The InChIKey is DESPVUHIQNZDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-5(2)6(3)7(10)4-8(9)11/h5-7,10H,4H2,1-3H3,(H2,9,11).
What are the key properties of 3-hydroxy-4,5-dimethylhexanamide?
3-hydroxy-4,5-dimethylhexanamide has a molecular weight of 159.23 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4,5-dimethylhexanamide is sourced from PubChem (CID 89154230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).