5,5-dimethyl-3-[2-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-2-oxoethyl]imidazolidine-2,4-dione

C17H22N4O4 — CID 124953622

IUPAC5,5-dimethyl-3-[2-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESCc1cc([C@@H]2CN(C(=O)CN3C(=O)NC(C)(C)C3=O)CCO2)ccn1
InChIInChI=1S/C17H22N4O4/c1-11-8-12(4-5-18-11)13-9-20(6-7-25-13)14(22)10-21-15(23)17(2,3)19-16(21)24/h4-5,8,13H,6-7,9-10H2,1-3H3,(H,19,24)/t13-/m0/s1
InChIKeyDWKUAUJSBOFVEA-ZDUSSCGKSA-N
MW346.39 g/mol
LogP0.62
Rot. Bonds3

About 5,5-dimethyl-3-[2-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-2-oxoethyl]imidazolidine-2,4-dione

5,5-dimethyl-3-[2-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 124953622) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is 5,5-dimethyl-3-[2-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[2-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID124953622
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Name5,5-dimethyl-3-[2-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESCc1cc([C@@H]2CN(C(=O)CN3C(=O)NC(C)(C)C3=O)CCO2)ccn1
InChIInChI=1S/C17H22N4O4/c1-11-8-12(4-5-18-11)13-9-20(6-7-25-13)14(22)10-21-15(23)17(2,3)19-16(21)24/h4-5,8,13H,6-7,9-10H2,1-3H3,(H,19,24)/t13-/m0/s1
InChIKeyDWKUAUJSBOFVEA-ZDUSSCGKSA-N
XLogP0.62
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5,5-dimethyl-3-[2-oxo-2-(2-pyridin-4-ylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione
CID 110102604
1-[2-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one
CID 110102640
2-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]ethanone
CID 124943524
2-cyclopentyl-1-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]ethanone
CID 124987741
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]ethanone
CID 124988564
3-methoxy-1-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]propan-1-one
CID 124943373
N-[2-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]-2-oxoethyl]methanesulfonamide
CID 110102646
5,6-dimethyl-3-[(2R)-2-(2-methyl-4-pyridinyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 124980669
1-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 124976068
3-(1H-indol-3-yl)-1-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]propan-1-one
CID 110102712
[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(5-methylthiophen-2-yl)methanone
CID 124949665
(1-methylimidazol-2-yl)-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]methanone
CID 110102627

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[2-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[2-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-2-oxoethyl]imidazolidine-2,4-dione (CID 124953622) is 5,5-dimethyl-3-[2-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[2-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[2-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-2-oxoethyl]imidazolidine-2,4-dione is Cc1cc([C@@H]2CN(C(=O)CN3C(=O)NC(C)(C)C3=O)CCO2)ccn1.
What is the InChIKey of 5,5-dimethyl-3-[2-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is DWKUAUJSBOFVEA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-11-8-12(4-5-18-11)13-9-20(6-7-25-13)14(22)10-21-15(23)17(2,3)19-16(21)24/h4-5,8,13H,6-7,9-10H2,1-3H3,(H,19,24)/t13-/m0/s1.
What are the key properties of 5,5-dimethyl-3-[2-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-2-oxoethyl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[2-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 346.39 g/mol, XLogP of 0.62, 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-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 124953622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).