5,5-dimethyl-3-[2-(2-methylpropoxy)ethyl]imidazolidine-2,4-dione

C11H20N2O3 — CID 593364

IUPAC5,5-dimethyl-3-[2-(2-methylpropoxy)ethyl]imidazolidine-2,4-dione
SMILESCC(C)COCCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C11H20N2O3/c1-8(2)7-16-6-5-13-9(14)11(3,4)12-10(13)15/h8H,5-7H2,1-4H3,(H,12,15)
InChIKeyXEWYXPHCRCTKJG-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.99
Rot. Bonds5

About 5,5-dimethyl-3-[2-(2-methylpropoxy)ethyl]imidazolidine-2,4-dione

5,5-dimethyl-3-[2-(2-methylpropoxy)ethyl]imidazolidine-2,4-dione (PubChem CID 593364) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 5,5-dimethyl-3-[2-(2-methylpropoxy)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[2-(2-methylpropoxy)ethyl]imidazolidine-2,4-dione
PubChem CID593364
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name5,5-dimethyl-3-[2-(2-methylpropoxy)ethyl]imidazolidine-2,4-dione
SMILESCC(C)COCCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C11H20N2O3/c1-8(2)7-16-6-5-13-9(14)11(3,4)12-10(13)15/h8H,5-7H2,1-4H3,(H,12,15)
InChIKeyXEWYXPHCRCTKJG-UHFFFAOYSA-N
XLogP0.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[2-(2-methylpropoxy)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[2-(2-methylpropoxy)ethyl]imidazolidine-2,4-dione (CID 593364) is 5,5-dimethyl-3-[2-(2-methylpropoxy)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[2-(2-methylpropoxy)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[2-(2-methylpropoxy)ethyl]imidazolidine-2,4-dione is CC(C)COCCN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of 5,5-dimethyl-3-[2-(2-methylpropoxy)ethyl]imidazolidine-2,4-dione?
The InChIKey is XEWYXPHCRCTKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8(2)7-16-6-5-13-9(14)11(3,4)12-10(13)15/h8H,5-7H2,1-4H3,(H,12,15).
What are the key properties of 5,5-dimethyl-3-[2-(2-methylpropoxy)ethyl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[2-(2-methylpropoxy)ethyl]imidazolidine-2,4-dione has a molecular weight of 228.29 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[2-(2-methylpropoxy)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 593364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).