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

C9H19N3O3 — CID 103940417

IUPACN-(1-amino-1-hydroxyiminopropan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(NC(=O)COC(C)(C)C)C(N)=NO
InChIInChI=1S/C9H19N3O3/c1-6(8(10)12-14)11-7(13)5-15-9(2,3)4/h6,14H,5H2,1-4H3,(H2,10,12)(H,11,13)
InChIKeyIMXVPDLZYYTOTH-UHFFFAOYSA-N
MW217.27 g/mol
LogP0.05
Rot. Bonds4

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

N-(1-amino-1-hydroxyiminopropan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 103940417) has the molecular formula C9H19N3O3 and a molecular weight of 217.27 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyiminopropan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyiminopropan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID103940417
Molecular FormulaC9H19N3O3
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC NameN-(1-amino-1-hydroxyiminopropan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(NC(=O)COC(C)(C)C)C(N)=NO
InChIInChI=1S/C9H19N3O3/c1-6(8(10)12-14)11-7(13)5-15-9(2,3)4/h6,14H,5H2,1-4H3,(H2,10,12)(H,11,13)
InChIKeyIMXVPDLZYYTOTH-UHFFFAOYSA-N
XLogP0.05
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 50.05
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'}

Analyze N-(1-amino-1-hydroxyiminopropan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyiminopropan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-(1-amino-1-hydroxyiminopropan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 103940417) is N-(1-amino-1-hydroxyiminopropan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-(1-amino-1-hydroxyiminopropan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-(1-amino-1-hydroxyiminopropan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide is CC(NC(=O)COC(C)(C)C)C(N)=NO.
What is the InChIKey of N-(1-amino-1-hydroxyiminopropan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is IMXVPDLZYYTOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3/c1-6(8(10)12-14)11-7(13)5-15-9(2,3)4/h6,14H,5H2,1-4H3,(H2,10,12)(H,11,13).
What are the key properties of N-(1-amino-1-hydroxyiminopropan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-(1-amino-1-hydroxyiminopropan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 217.27 g/mol, XLogP of 0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyiminopropan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 103940417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).