5,5-dimethyl-3-[2-oxo-2-(2-pyridin-4-ylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione

C16H20N4O4 — CID 110102604

IUPAC5,5-dimethyl-3-[2-oxo-2-(2-pyridin-4-ylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CC(=O)N2CCOC(c3ccncc3)C2)C1=O
InChIInChI=1S/C16H20N4O4/c1-16(2)14(22)20(15(23)18-16)10-13(21)19-7-8-24-12(9-19)11-3-5-17-6-4-11/h3-6,12H,7-10H2,1-2H3,(H,18,23)
InChIKeyZDMOMPZRJFRNDX-UHFFFAOYSA-N
MW332.36 g/mol
LogP0.31
Rot. Bonds3

About 5,5-dimethyl-3-[2-oxo-2-(2-pyridin-4-ylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione

5,5-dimethyl-3-[2-oxo-2-(2-pyridin-4-ylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione (PubChem CID 110102604) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is 5,5-dimethyl-3-[2-oxo-2-(2-pyridin-4-ylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[2-oxo-2-(2-pyridin-4-ylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione
PubChem CID110102604
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Name5,5-dimethyl-3-[2-oxo-2-(2-pyridin-4-ylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CC(=O)N2CCOC(c3ccncc3)C2)C1=O
InChIInChI=1S/C16H20N4O4/c1-16(2)14(22)20(15(23)18-16)10-13(21)19-7-8-24-12(9-19)11-3-5-17-6-4-11/h3-6,12H,7-10H2,1-2H3,(H,18,23)
InChIKeyZDMOMPZRJFRNDX-UHFFFAOYSA-N
XLogP0.31
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5,5-dimethyl-3-[2-oxo-2-(2-pyridin-4-ylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione with MolForge

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Related Compounds

5,5-dimethyl-3-[2-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 124953622
3-[2-oxo-2-[(2R)-2-pyridin-4-ylmorpholin-4-yl]ethyl]-1,3-benzoxazol-2-one
CID 124990788
3-[2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 79403579
1-[2-[2-(4-chlorophenyl)morpholin-4-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 56862525
3-(5-methylpyrazol-1-yl)-1-[(2S)-2-pyridin-4-ylmorpholin-4-yl]propan-1-one
CID 125026147
3-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 66291672
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-pyridin-4-ylmorpholin-4-yl)propan-1-one
CID 110102568
1-(2-pyridin-4-ylmorpholin-4-yl)-2-thiophen-3-ylethanone
CID 110102530
1-[(2R)-2-pyridin-4-ylmorpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 124986253
5,5-dimethyl-3-[2-[(3R)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 124964953
5,5-dimethyl-3-[2-[(3S)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 124955043
5,5-dimethyl-3-[2-oxo-2-(3-pyrazin-2-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 127246109

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[2-oxo-2-(2-pyridin-4-ylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[2-oxo-2-(2-pyridin-4-ylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione (CID 110102604) is 5,5-dimethyl-3-[2-oxo-2-(2-pyridin-4-ylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[2-oxo-2-(2-pyridin-4-ylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[2-oxo-2-(2-pyridin-4-ylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione is CC1(C)NC(=O)N(CC(=O)N2CCOC(c3ccncc3)C2)C1=O.
What is the InChIKey of 5,5-dimethyl-3-[2-oxo-2-(2-pyridin-4-ylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione?
The InChIKey is ZDMOMPZRJFRNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-16(2)14(22)20(15(23)18-16)10-13(21)19-7-8-24-12(9-19)11-3-5-17-6-4-11/h3-6,12H,7-10H2,1-2H3,(H,18,23).
What are the key properties of 5,5-dimethyl-3-[2-oxo-2-(2-pyridin-4-ylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[2-oxo-2-(2-pyridin-4-ylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione has a molecular weight of 332.36 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[2-oxo-2-(2-pyridin-4-ylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 110102604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).