N-hydroxy-2,4-dimethylhexanamide

C8H17NO2 — CID 123944975

IUPACN-hydroxy-2,4-dimethylhexanamide
SMILESCCC(C)CC(C)C(=O)NO
InChIInChI=1S/C8H17NO2/c1-4-6(2)5-7(3)8(10)9-11/h6-7,11H,4-5H2,1-3H3,(H,9,10)
InChIKeyOQPLMJZPPAWDPW-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.56
Rot. Bonds4

About N-hydroxy-2,4-dimethylhexanamide

N-hydroxy-2,4-dimethylhexanamide (PubChem CID 123944975) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is N-hydroxy-2,4-dimethylhexanamide.

Molecular Properties

Compound NameN-hydroxy-2,4-dimethylhexanamide
PubChem CID123944975
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC NameN-hydroxy-2,4-dimethylhexanamide
SMILESCCC(C)CC(C)C(=O)NO
InChIInChI=1S/C8H17NO2/c1-4-6(2)5-7(3)8(10)9-11/h6-7,11H,4-5H2,1-3H3,(H,9,10)
InChIKeyOQPLMJZPPAWDPW-UHFFFAOYSA-N
XLogP1.56
TPSA49.33 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 ≤ 51.56
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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Related Compounds

(2R,4S,6S,8S)-2,4,6,8-tetramethyldecanoic acid
CID 163059027
2,4,6,8-tetramethyldecanoic acid
CID 5312348
(2S)-2-amino-5-(hydroxyamino)-4-methyl-5-oxopentanoic acid
CID 22809795
carbonic acid;3-methylpentane-1,1-diol
CID 87689978
ethyl (2R,4R)-2,4-dimethylhexanoate
CID 143853541
(2R,4S)-4-methyl-2-(methylamino)hexanoic acid
CID 59874884
N-hydroxy-2-(iodoamino)-4-methylpentanamide
CID 88849243
(2S)-2-methyl-N-(2-methylbutyl)butanamide;2-methyl-N-[(2S)-2-methylbutyl]butanamide;(2S)-2-methyl-N-[(2S)-2-methylbutyl]butanamide
CID 167576968
2-(5-methylheptan-3-yl)propanedioic acid
CID 175206288
5-hydroxy-N,2,4-trimethylpentanamide
CID 157214325
(2S,3R)-2-amino-N-hydroxy-3-methylpentanamide
CID 129369774
2-(aminomethyl)-N,4-dimethylhexanamide
CID 62313426

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2,4-dimethylhexanamide?
The IUPAC name of N-hydroxy-2,4-dimethylhexanamide (CID 123944975) is N-hydroxy-2,4-dimethylhexanamide.
What is the SMILES notation for N-hydroxy-2,4-dimethylhexanamide?
The canonical SMILES for N-hydroxy-2,4-dimethylhexanamide is CCC(C)CC(C)C(=O)NO.
What is the InChIKey of N-hydroxy-2,4-dimethylhexanamide?
The InChIKey is OQPLMJZPPAWDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-4-6(2)5-7(3)8(10)9-11/h6-7,11H,4-5H2,1-3H3,(H,9,10).
What are the key properties of N-hydroxy-2,4-dimethylhexanamide?
N-hydroxy-2,4-dimethylhexanamide has a molecular weight of 159.23 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2,4-dimethylhexanamide is sourced from PubChem (CID 123944975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).