3-(3,3-diethoxypropyl)-5-ethyl-5-methylimidazolidine-2,4-dione

C13H24N2O4 — CID 63629297

IUPAC3-(3,3-diethoxypropyl)-5-ethyl-5-methylimidazolidine-2,4-dione
SMILESCCOC(CCN1C(=O)NC(C)(CC)C1=O)OCC
InChIInChI=1S/C13H24N2O4/c1-5-13(4)11(16)15(12(17)14-13)9-8-10(18-6-2)19-7-3/h10H,5-9H2,1-4H3,(H,14,17)
InChIKeyGTDDRGMHKDEGPQ-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.50
Rot. Bonds8

About 3-(3,3-diethoxypropyl)-5-ethyl-5-methylimidazolidine-2,4-dione

3-(3,3-diethoxypropyl)-5-ethyl-5-methylimidazolidine-2,4-dione (PubChem CID 63629297) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 3-(3,3-diethoxypropyl)-5-ethyl-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3,3-diethoxypropyl)-5-ethyl-5-methylimidazolidine-2,4-dione
PubChem CID63629297
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name3-(3,3-diethoxypropyl)-5-ethyl-5-methylimidazolidine-2,4-dione
SMILESCCOC(CCN1C(=O)NC(C)(CC)C1=O)OCC
InChIInChI=1S/C13H24N2O4/c1-5-13(4)11(16)15(12(17)14-13)9-8-10(18-6-2)19-7-3/h10H,5-9H2,1-4H3,(H,14,17)
InChIKeyGTDDRGMHKDEGPQ-UHFFFAOYSA-N
XLogP1.50
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.50
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-(2,2-diethoxyethyl)-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 75511262
3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanal
CID 63039438
5-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)pentanenitrile
CID 60673570
3-(2-aminopropyl)-5-ethyl-5-methylimidazolidine-2,4-dione
CID 18070377
3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanehydrazide
CID 63577196
3-(2-azidoethyl)-5-ethyl-5-methylimidazolidine-2,4-dione
CID 61396577
5-ethyl-5-methyl-3-(2-phenoxyethyl)imidazolidine-2,4-dione
CID 4579823
3-ethoxy-5-ethyl-5-methylimidazolidine-2,4-dione
CID 130653587
ethyl 4-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-oxobutanoate
CID 95357591
3-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]propylurea
CID 99122564
5-methyl-3-propyl-5-(sulfanylmethyl)imidazolidine-2,4-dione
CID 87234072
(5R)-3-(3,3-dimethyl-2-oxobutyl)-5-ethyl-5-methylimidazolidine-2,4-dione
CID 94154833

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-diethoxypropyl)-5-ethyl-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-(3,3-diethoxypropyl)-5-ethyl-5-methylimidazolidine-2,4-dione (CID 63629297) is 3-(3,3-diethoxypropyl)-5-ethyl-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(3,3-diethoxypropyl)-5-ethyl-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-(3,3-diethoxypropyl)-5-ethyl-5-methylimidazolidine-2,4-dione is CCOC(CCN1C(=O)NC(C)(CC)C1=O)OCC.
What is the InChIKey of 3-(3,3-diethoxypropyl)-5-ethyl-5-methylimidazolidine-2,4-dione?
The InChIKey is GTDDRGMHKDEGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-5-13(4)11(16)15(12(17)14-13)9-8-10(18-6-2)19-7-3/h10H,5-9H2,1-4H3,(H,14,17).
What are the key properties of 3-(3,3-diethoxypropyl)-5-ethyl-5-methylimidazolidine-2,4-dione?
3-(3,3-diethoxypropyl)-5-ethyl-5-methylimidazolidine-2,4-dione has a molecular weight of 272.34 g/mol, XLogP of 1.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-diethoxypropyl)-5-ethyl-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 63629297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).