3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione

C19H25N3O4 — CID 18074159

IUPAC3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCc1ccc(N2C(=O)N(CC(=O)N3CC(C)OC(C)C3)C(=O)C2C)cc1
InChIInChI=1S/C19H25N3O4/c1-12-5-7-16(8-6-12)22-15(4)18(24)21(19(22)25)11-17(23)20-9-13(2)26-14(3)10-20/h5-8,13-15H,9-11H2,1-4H3
InChIKeyIMJPQFASJWKEAF-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.79
Rot. Bonds3

About 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione

3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione (PubChem CID 18074159) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
PubChem CID18074159
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCc1ccc(N2C(=O)N(CC(=O)N3CC(C)OC(C)C3)C(=O)C2C)cc1
InChIInChI=1S/C19H25N3O4/c1-12-5-7-16(8-6-12)22-15(4)18(24)21(19(22)25)11-17(23)20-9-13(2)26-14(3)10-20/h5-8,13-15H,9-11H2,1-4H3
InChIKeyIMJPQFASJWKEAF-UHFFFAOYSA-N
XLogP1.79
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5S)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
CID 9207232
(5R)-3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 7242654
(5R)-5-methyl-1-(4-methylphenyl)-3-[2-oxo-2-(4-phenylphenyl)ethyl]imidazolidine-2,4-dione
CID 2470328
2-[(4R)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 9042802
N-(1,3-benzodioxol-5-yl)-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4799354
(5R)-3-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
CID 31797441
2-[(4R)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 2455847
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(4R)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 9047889
5-methyl-1-(4-methylphenyl)-3-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]imidazolidine-2,4-dione
CID 17412039
(5R)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
CID 9360457
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(4-methylphenyl)phenoxy]ethanone
CID 42964480
1-(2,6-dimethylmorpholin-4-yl)-3-(4-methylphenyl)sulfanylpropan-1-one
CID 17187441

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione (CID 18074159) is 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione is Cc1ccc(N2C(=O)N(CC(=O)N3CC(C)OC(C)C3)C(=O)C2C)cc1.
What is the InChIKey of 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione?
The InChIKey is IMJPQFASJWKEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-12-5-7-16(8-6-12)22-15(4)18(24)21(19(22)25)11-17(23)20-9-13(2)26-14(3)10-20/h5-8,13-15H,9-11H2,1-4H3.
What are the key properties of 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione?
3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione has a molecular weight of 359.43 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 18074159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).