2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-methoxyacetamide

C9H15N3O4 — CID 60716880

IUPAC2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-methoxyacetamide
SMILESCCC1(C)NC(=O)N(CC(=O)NOC)C1=O
InChIInChI=1S/C9H15N3O4/c1-4-9(2)7(14)12(8(15)10-9)5-6(13)11-16-3/h4-5H2,1-3H3,(H,10,15)(H,11,13)
InChIKeyVAOXJKHNBOZCLX-UHFFFAOYSA-N
MW229.24 g/mol
LogP-0.62
Rot. Bonds4

About 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-methoxyacetamide

2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-methoxyacetamide (PubChem CID 60716880) has the molecular formula C9H15N3O4 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-methoxyacetamide.

Molecular Properties

Compound Name2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-methoxyacetamide
PubChem CID60716880
Molecular FormulaC9H15N3O4
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-methoxyacetamide
SMILESCCC1(C)NC(=O)N(CC(=O)NOC)C1=O
InChIInChI=1S/C9H15N3O4/c1-4-9(2)7(14)12(8(15)10-9)5-6(13)11-16-3/h4-5H2,1-3H3,(H,10,15)(H,11,13)
InChIKeyVAOXJKHNBOZCLX-UHFFFAOYSA-N
XLogP-0.62
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', '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 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-methoxyacetamide?
The IUPAC name of 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-methoxyacetamide (CID 60716880) is 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-methoxyacetamide.
What is the SMILES notation for 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-methoxyacetamide?
The canonical SMILES for 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-methoxyacetamide is CCC1(C)NC(=O)N(CC(=O)NOC)C1=O.
What is the InChIKey of 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-methoxyacetamide?
The InChIKey is VAOXJKHNBOZCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4/c1-4-9(2)7(14)12(8(15)10-9)5-6(13)11-16-3/h4-5H2,1-3H3,(H,10,15)(H,11,13).
What are the key properties of 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-methoxyacetamide?
2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-methoxyacetamide has a molecular weight of 229.24 g/mol, XLogP of -0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-methoxyacetamide is sourced from PubChem (CID 60716880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).