3-(2,2-diethoxyethyl)-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione

C14H26N2O4 — CID 75511262

IUPAC3-(2,2-diethoxyethyl)-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCCOC(CN1C(=O)NC(C)(CC(C)C)C1=O)OCC
InChIInChI=1S/C14H26N2O4/c1-6-19-11(20-7-2)9-16-12(17)14(5,8-10(3)4)15-13(16)18/h10-11H,6-9H2,1-5H3,(H,15,18)
InChIKeyVGIVONYNTLVNEA-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.74
Rot. Bonds8

About 3-(2,2-diethoxyethyl)-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione

3-(2,2-diethoxyethyl)-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione (PubChem CID 75511262) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-(2,2-diethoxyethyl)-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2,2-diethoxyethyl)-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
PubChem CID75511262
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name3-(2,2-diethoxyethyl)-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCCOC(CN1C(=O)NC(C)(CC(C)C)C1=O)OCC
InChIInChI=1S/C14H26N2O4/c1-6-19-11(20-7-2)9-16-12(17)14(5,8-10(3)4)15-13(16)18/h10-11H,6-9H2,1-5H3,(H,15,18)
InChIKeyVGIVONYNTLVNEA-UHFFFAOYSA-N
XLogP1.74
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-(3,3-diethoxypropyl)-5-ethyl-5-methylimidazolidine-2,4-dione
CID 63629297
3-(cyclohexylmethyl)-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 112774076
3-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 111476310
3-(2-aminopropyl)-5-ethyl-5-methylimidazolidine-2,4-dione
CID 18070377
5-methyl-3-(2-methylpropyl)-5-(sulfanylmethyl)imidazolidine-2,4-dione
CID 87234369
2-[2-[(4S)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]ethyl]isoindole-1,3-dione
CID 2583395
3-[2-(azepan-1-yl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 51138847
N-cyclohexyl-N-ethyl-2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51138912
(5R)-5-methyl-5-(2-methylpropyl)-3-(2-pyridin-4-ylethyl)imidazolidine-2,4-dione
CID 95597576
(5R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 2438011
(5S)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 124821325
(5R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 2711199

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-diethoxyethyl)-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione?
The IUPAC name of 3-(2,2-diethoxyethyl)-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione (CID 75511262) is 3-(2,2-diethoxyethyl)-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-(2,2-diethoxyethyl)-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-(2,2-diethoxyethyl)-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione is CCOC(CN1C(=O)NC(C)(CC(C)C)C1=O)OCC.
What is the InChIKey of 3-(2,2-diethoxyethyl)-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione?
The InChIKey is VGIVONYNTLVNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-6-19-11(20-7-2)9-16-12(17)14(5,8-10(3)4)15-13(16)18/h10-11H,6-9H2,1-5H3,(H,15,18).
What are the key properties of 3-(2,2-diethoxyethyl)-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione?
3-(2,2-diethoxyethyl)-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione has a molecular weight of 286.37 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-diethoxyethyl)-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 75511262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).