N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide

C11H23N3O3 — CID 103940441

IUPACN-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCCC(C)(NC(=O)COC(C)(C)C)C(N)=NO
InChIInChI=1S/C11H23N3O3/c1-6-11(5,9(12)14-16)13-8(15)7-17-10(2,3)4/h16H,6-7H2,1-5H3,(H2,12,14)(H,13,15)
InChIKeyZQHXYSLZTRVRCK-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.83
Rot. Bonds5

About N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide

N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 103940441) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID103940441
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC NameN-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCCC(C)(NC(=O)COC(C)(C)C)C(N)=NO
InChIInChI=1S/C11H23N3O3/c1-6-11(5,9(12)14-16)13-8(15)7-17-10(2,3)4/h16H,6-7H2,1-5H3,(H2,12,14)(H,13,15)
InChIKeyZQHXYSLZTRVRCK-UHFFFAOYSA-N
XLogP0.83
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 103940441) is N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide is CCC(C)(NC(=O)COC(C)(C)C)C(N)=NO.
What is the InChIKey of N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is ZQHXYSLZTRVRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-6-11(5,9(12)14-16)13-8(15)7-17-10(2,3)4/h16H,6-7H2,1-5H3,(H2,12,14)(H,13,15).
What are the key properties of N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 245.32 g/mol, XLogP of 0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 103940441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).