2-hydroxy-3-methylhexanamide

C7H15NO2 — CID 62226604

IUPAC2-hydroxy-3-methylhexanamide
SMILESCCCC(C)C(O)C(N)=O
InChIInChI=1S/C7H15NO2/c1-3-4-5(2)6(9)7(8)10/h5-6,9H,3-4H2,1-2H3,(H2,8,10)
InChIKeyQCCIXHBENDZZGC-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.27
Rot. Bonds4

About 2-hydroxy-3-methylhexanamide

2-hydroxy-3-methylhexanamide (PubChem CID 62226604) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 2-hydroxy-3-methylhexanamide.

Molecular Properties

Compound Name2-hydroxy-3-methylhexanamide
PubChem CID62226604
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name2-hydroxy-3-methylhexanamide
SMILESCCCC(C)C(O)C(N)=O
InChIInChI=1S/C7H15NO2/c1-3-4-5(2)6(9)7(8)10/h5-6,9H,3-4H2,1-2H3,(H2,8,10)
InChIKeyQCCIXHBENDZZGC-UHFFFAOYSA-N
XLogP0.27
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-4-methylheptan-2-one
CID 45085736
2,3-dimethylhexanamide
CID 55291364
(1-hydroxy-2-methylpentyl)urea
CID 16722700
butane;2-hydroxypropanamide
CID 87347972
N-(2,2-dihydroxyethyl)-2-hydroxy-3-methylhexanamide
CID 59918479
3-hydroxy-4-methylheptanoate
CID 19853472
(2R)-3-methylhexan-2-ol
CID 88692749
4-cyclopropyl-2-hydroxy-3-methylbutanamide
CID 58846227
ethyl 2-amino-3-hydroxy-4-methylheptanoate
CID 66206751
1-amino-4,5-dimethyloctan-1-ol
CID 88903955
(3S)-3-methyl-2-oxohexanamide
CID 145466724
2-pentan-2-ylpropanedioic acid
CID 11469359

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methylhexanamide?
The IUPAC name of 2-hydroxy-3-methylhexanamide (CID 62226604) is 2-hydroxy-3-methylhexanamide.
What is the SMILES notation for 2-hydroxy-3-methylhexanamide?
The canonical SMILES for 2-hydroxy-3-methylhexanamide is CCCC(C)C(O)C(N)=O.
What is the InChIKey of 2-hydroxy-3-methylhexanamide?
The InChIKey is QCCIXHBENDZZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-3-4-5(2)6(9)7(8)10/h5-6,9H,3-4H2,1-2H3,(H2,8,10).
What are the key properties of 2-hydroxy-3-methylhexanamide?
2-hydroxy-3-methylhexanamide has a molecular weight of 145.20 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methylhexanamide is sourced from PubChem (CID 62226604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).