N'-hydroxy-2-methyloctanediamide

C9H18N2O3 — CID 142680471

IUPACN'-hydroxy-2-methyloctanediamide
SMILESCC(CCCCCC(=O)NO)C(N)=O
InChIInChI=1S/C9H18N2O3/c1-7(9(10)13)5-3-2-4-6-8(12)11-14/h7,14H,2-6H2,1H3,(H2,10,13)(H,11,12)
InChIKeyDZFKEOGTAVFSSQ-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.56
Rot. Bonds7

About N'-hydroxy-2-methyloctanediamide

N'-hydroxy-2-methyloctanediamide (PubChem CID 142680471) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is N'-hydroxy-2-methyloctanediamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyloctanediamide
PubChem CID142680471
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC NameN'-hydroxy-2-methyloctanediamide
SMILESCC(CCCCCC(=O)NO)C(N)=O
InChIInChI=1S/C9H18N2O3/c1-7(9(10)13)5-3-2-4-6-8(12)11-14/h7,14H,2-6H2,1H3,(H2,10,13)(H,11,12)
InChIKeyDZFKEOGTAVFSSQ-UHFFFAOYSA-N
XLogP0.56
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N'-hydroxy-2-methylhexanediamide
CID 173132567
CID 57354386
CID 57354386
ethane;N'-hydroxyoctanediamide
CID 144754010
N,10-dihydroxyoctadecanamide
CID 146268733
2-methylnon-7-enamide
CID 142782091
(2S)-2-formamido-N'-hydroxy-N-methyloctanediamide
CID 58720884
sodium;hydride;2-methyloctanamide
CID 174470127
2-methylheptanamide;2-methylhexanamide
CID 160718848
N',2-dimethylpentanediamide
CID 21268064
2-methyl-6-(propan-2-ylamino)hexanamide
CID 166138021
2-methyloctanediamide;terephthalic acid
CID 175020384
2-ethyl-12-(hydroxyamino)-12-oxododecanoic acid
CID 87575529

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyloctanediamide?
The IUPAC name of N'-hydroxy-2-methyloctanediamide (CID 142680471) is N'-hydroxy-2-methyloctanediamide.
What is the SMILES notation for N'-hydroxy-2-methyloctanediamide?
The canonical SMILES for N'-hydroxy-2-methyloctanediamide is CC(CCCCCC(=O)NO)C(N)=O.
What is the InChIKey of N'-hydroxy-2-methyloctanediamide?
The InChIKey is DZFKEOGTAVFSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-7(9(10)13)5-3-2-4-6-8(12)11-14/h7,14H,2-6H2,1H3,(H2,10,13)(H,11,12).
What are the key properties of N'-hydroxy-2-methyloctanediamide?
N'-hydroxy-2-methyloctanediamide has a molecular weight of 202.25 g/mol, XLogP of 0.56, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyloctanediamide is sourced from PubChem (CID 142680471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).