2-hydroxyimino-4-methyl-N-(3-methylbutanoyl)pentanamide

C11H20N2O3 — CID 163064055

IUPAC2-hydroxyimino-4-methyl-N-(3-methylbutanoyl)pentanamide
SMILESCC(C)CC(=O)NC(=O)C(CC(C)C)=NO
InChIInChI=1S/C11H20N2O3/c1-7(2)5-9(13-16)11(15)12-10(14)6-8(3)4/h7-8,16H,5-6H2,1-4H3,(H,12,14,15)
InChIKeyZBPZAHHJROEFGA-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.55
Rot. Bonds5

About 2-hydroxyimino-4-methyl-N-(3-methylbutanoyl)pentanamide

2-hydroxyimino-4-methyl-N-(3-methylbutanoyl)pentanamide (PubChem CID 163064055) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-hydroxyimino-4-methyl-N-(3-methylbutanoyl)pentanamide.

Molecular Properties

Compound Name2-hydroxyimino-4-methyl-N-(3-methylbutanoyl)pentanamide
PubChem CID163064055
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-hydroxyimino-4-methyl-N-(3-methylbutanoyl)pentanamide
SMILESCC(C)CC(=O)NC(=O)C(CC(C)C)=NO
InChIInChI=1S/C11H20N2O3/c1-7(2)5-9(13-16)11(15)12-10(14)6-8(3)4/h7-8,16H,5-6H2,1-4H3,(H,12,14,15)
InChIKeyZBPZAHHJROEFGA-UHFFFAOYSA-N
XLogP1.55
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-3-methylbutanamide
CID 13258739
3-methyl-N-(pentan-3-ylideneamino)butanamide
CID 4113176
3-ethoxy-2-[(2-hydroxyimino-4-methylpentanoyl)amino]-3-oxopropanoic acid
CID 86749040
3-methyl-N-(methylcarbamothioyl)butanamide
CID 24847571
N-iodo-3-methylbutanamide
CID 135276105
3-methyl-N-[6-(3-methylbutanoylamino)hexyl]butanamide
CID 3609868
(2S)-2-amino-4-methyl-N-(3-methylbutanoyl)pentanamide
CID 18652043
methyl 4-methyl-2-methyliminopentanoate
CID 123195850
3-methyl-N-(pentan-2-ylideneamino)butanamide
CID 4171993
N-(cyclopentylideneamino)-3-methylbutanamide
CID 5165993
3-methyl-N-[2-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 166662987
3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide
CID 90264855

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyimino-4-methyl-N-(3-methylbutanoyl)pentanamide?
The IUPAC name of 2-hydroxyimino-4-methyl-N-(3-methylbutanoyl)pentanamide (CID 163064055) is 2-hydroxyimino-4-methyl-N-(3-methylbutanoyl)pentanamide.
What is the SMILES notation for 2-hydroxyimino-4-methyl-N-(3-methylbutanoyl)pentanamide?
The canonical SMILES for 2-hydroxyimino-4-methyl-N-(3-methylbutanoyl)pentanamide is CC(C)CC(=O)NC(=O)C(CC(C)C)=NO.
What is the InChIKey of 2-hydroxyimino-4-methyl-N-(3-methylbutanoyl)pentanamide?
The InChIKey is ZBPZAHHJROEFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-7(2)5-9(13-16)11(15)12-10(14)6-8(3)4/h7-8,16H,5-6H2,1-4H3,(H,12,14,15).
What are the key properties of 2-hydroxyimino-4-methyl-N-(3-methylbutanoyl)pentanamide?
2-hydroxyimino-4-methyl-N-(3-methylbutanoyl)pentanamide has a molecular weight of 228.29 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyimino-4-methyl-N-(3-methylbutanoyl)pentanamide is sourced from PubChem (CID 163064055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).