3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-ethoxypropanamide

C10H17N3O4 — CID 60700550

IUPAC3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-ethoxypropanamide
SMILESCCONC(=O)CCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C10H17N3O4/c1-4-17-12-7(14)5-6-13-8(15)10(2,3)11-9(13)16/h4-6H2,1-3H3,(H,11,16)(H,12,14)
InChIKeyYYOJRRHAAKLNHR-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.23
Rot. Bonds5

About 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-ethoxypropanamide

3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-ethoxypropanamide (PubChem CID 60700550) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-ethoxypropanamide.

Molecular Properties

Compound Name3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-ethoxypropanamide
PubChem CID60700550
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-ethoxypropanamide
SMILESCCONC(=O)CCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C10H17N3O4/c1-4-17-12-7(14)5-6-13-8(15)10(2,3)11-9(13)16/h4-6H2,1-3H3,(H,11,16)(H,12,14)
InChIKeyYYOJRRHAAKLNHR-UHFFFAOYSA-N
XLogP-0.23
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.23
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 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-ethoxypropanamide?
The IUPAC name of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-ethoxypropanamide (CID 60700550) is 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-ethoxypropanamide.
What is the SMILES notation for 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-ethoxypropanamide?
The canonical SMILES for 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-ethoxypropanamide is CCONC(=O)CCN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-ethoxypropanamide?
The InChIKey is YYOJRRHAAKLNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-4-17-12-7(14)5-6-13-8(15)10(2,3)11-9(13)16/h4-6H2,1-3H3,(H,11,16)(H,12,14).
What are the key properties of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-ethoxypropanamide?
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-ethoxypropanamide has a molecular weight of 243.26 g/mol, XLogP of -0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-ethoxypropanamide is sourced from PubChem (CID 60700550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).