5-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-5-naphthalen-1-ylimidazolidine-2,4-dione

C21H23N3O4 — CID 46674957

IUPAC5-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-5-naphthalen-1-ylimidazolidine-2,4-dione
SMILESCC1CN(C(=O)CN2C(=O)NC(C)(c3cccc4ccccc34)C2=O)CCO1
InChIInChI=1S/C21H23N3O4/c1-14-12-23(10-11-28-14)18(25)13-24-19(26)21(2,22-20(24)27)17-9-5-7-15-6-3-4-8-16(15)17/h3-9,14H,10-13H2,1-2H3,(H,22,27)
InChIKeyUJSPYQACGMGQFG-UHFFFAOYSA-N
MW381.43 g/mol
LogP1.85
Rot. Bonds3

About 5-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-5-naphthalen-1-ylimidazolidine-2,4-dione

5-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-5-naphthalen-1-ylimidazolidine-2,4-dione (PubChem CID 46674957) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 5-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-5-naphthalen-1-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-5-naphthalen-1-ylimidazolidine-2,4-dione
PubChem CID46674957
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name5-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-5-naphthalen-1-ylimidazolidine-2,4-dione
SMILESCC1CN(C(=O)CN2C(=O)NC(C)(c3cccc4ccccc34)C2=O)CCO1
InChIInChI=1S/C21H23N3O4/c1-14-12-23(10-11-28-14)18(25)13-24-19(26)21(2,22-20(24)27)17-9-5-7-15-6-3-4-8-16(15)17/h3-9,14H,10-13H2,1-2H3,(H,22,27)
InChIKeyUJSPYQACGMGQFG-UHFFFAOYSA-N
XLogP1.85
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-(2-fluorophenyl)-5-methyl-3-[2-[(2R)-2-methylmorpholin-4-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 95151894
(5S)-3-[2-[(2S)-2-ethylmorpholin-4-yl]-2-oxoethyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 52508667
5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 46675649
5-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 24577980
(5S)-3-[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 41157222
(5R)-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 7242858
(5R)-3-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 100885751
5-methyl-3-(2-methylprop-2-enyl)-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 17405528
2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 2704464
(5S)-5-methyl-3-[2-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl]-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 40987723
(5R)-5-(2-chlorophenyl)-5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione
CID 2702196
N-butan-2-yl-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 4790385

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-5-naphthalen-1-ylimidazolidine-2,4-dione?
The IUPAC name of 5-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-5-naphthalen-1-ylimidazolidine-2,4-dione (CID 46674957) is 5-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-5-naphthalen-1-ylimidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-5-naphthalen-1-ylimidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-5-naphthalen-1-ylimidazolidine-2,4-dione is CC1CN(C(=O)CN2C(=O)NC(C)(c3cccc4ccccc34)C2=O)CCO1.
What is the InChIKey of 5-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-5-naphthalen-1-ylimidazolidine-2,4-dione?
The InChIKey is UJSPYQACGMGQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-14-12-23(10-11-28-14)18(25)13-24-19(26)21(2,22-20(24)27)17-9-5-7-15-6-3-4-8-16(15)17/h3-9,14H,10-13H2,1-2H3,(H,22,27).
What are the key properties of 5-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-5-naphthalen-1-ylimidazolidine-2,4-dione?
5-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-5-naphthalen-1-ylimidazolidine-2,4-dione has a molecular weight of 381.43 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-5-naphthalen-1-ylimidazolidine-2,4-dione is sourced from PubChem (CID 46674957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).