[3-[4-(methylcarbamoyl)phenyl]-2,5-dioxoimidazolidin-1-yl]methyl acetate

C14H15N3O5 — CID 25165110

IUPAC[3-[4-(methylcarbamoyl)phenyl]-2,5-dioxoimidazolidin-1-yl]methyl acetate
SMILESCNC(=O)c1ccc(N2CC(=O)N(COC(C)=O)C2=O)cc1
InChIInChI=1S/C14H15N3O5/c1-9(18)22-8-17-12(19)7-16(14(17)21)11-5-3-10(4-6-11)13(20)15-2/h3-6H,7-8H2,1-2H3,(H,15,20)
InChIKeyJQKBAKOQDHSGCE-UHFFFAOYSA-N
MW305.29 g/mol
LogP0.34
Rot. Bonds4

About [3-[4-(methylcarbamoyl)phenyl]-2,5-dioxoimidazolidin-1-yl]methyl acetate

[3-[4-(methylcarbamoyl)phenyl]-2,5-dioxoimidazolidin-1-yl]methyl acetate (PubChem CID 25165110) has the molecular formula C14H15N3O5 and a molecular weight of 305.29 g/mol. Its IUPAC name is [3-[4-(methylcarbamoyl)phenyl]-2,5-dioxoimidazolidin-1-yl]methyl acetate.

Molecular Properties

Compound Name[3-[4-(methylcarbamoyl)phenyl]-2,5-dioxoimidazolidin-1-yl]methyl acetate
PubChem CID25165110
Molecular FormulaC14H15N3O5
Molecular Weight305.29 g/mol
Exact Mass305.10
IUPAC Name[3-[4-(methylcarbamoyl)phenyl]-2,5-dioxoimidazolidin-1-yl]methyl acetate
SMILESCNC(=O)c1ccc(N2CC(=O)N(COC(C)=O)C2=O)cc1
InChIInChI=1S/C14H15N3O5/c1-9(18)22-8-17-12(19)7-16(14(17)21)11-5-3-10(4-6-11)13(20)15-2/h3-6H,7-8H2,1-2H3,(H,15,20)
InChIKeyJQKBAKOQDHSGCE-UHFFFAOYSA-N
XLogP0.34
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 50.34
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

4-(3-benzoyl-2,4-dioxoimidazolidin-1-yl)-N-methylbenzamide
CID 25164502
methyl 1-[4-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxylate
CID 168693266
4-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-methylbenzamide
CID 98272705
ethyl 4-(methylcarbamoyl)benzoate
CID 125143185
4-(4-aminophenyl)-N-methylbenzamide
CID 91665695
N-methoxy-4-(2-oxopiperidin-1-yl)benzamide
CID 51279408
N-methyl-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfamoyl]benzamide
CID 26781606
4-(4-aminophenoxy)-N-methylbenzamide
CID 131636828
1-N,4-N-dimethylbenzene-1,4-dicarboxamide;dimethyl benzene-1,4-dicarboxylate
CID 158994697
4-(2-oxopyrrolidin-1-yl)-N-propan-2-ylbenzamide
CID 6621975
N-butyl-4-(3,4-dichloro-5-oxo-2H-pyrrol-1-yl)benzamide
CID 171344184
1-(4-chlorophenyl)-N-[4-(methylcarbamoyl)phenyl]-2-oxopyrrolidine-3-carboxamide
CID 60566893

Frequently Asked Questions

What is the IUPAC name of [3-[4-(methylcarbamoyl)phenyl]-2,5-dioxoimidazolidin-1-yl]methyl acetate?
The IUPAC name of [3-[4-(methylcarbamoyl)phenyl]-2,5-dioxoimidazolidin-1-yl]methyl acetate (CID 25165110) is [3-[4-(methylcarbamoyl)phenyl]-2,5-dioxoimidazolidin-1-yl]methyl acetate.
What is the SMILES notation for [3-[4-(methylcarbamoyl)phenyl]-2,5-dioxoimidazolidin-1-yl]methyl acetate?
The canonical SMILES for [3-[4-(methylcarbamoyl)phenyl]-2,5-dioxoimidazolidin-1-yl]methyl acetate is CNC(=O)c1ccc(N2CC(=O)N(COC(C)=O)C2=O)cc1.
What is the InChIKey of [3-[4-(methylcarbamoyl)phenyl]-2,5-dioxoimidazolidin-1-yl]methyl acetate?
The InChIKey is JQKBAKOQDHSGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O5/c1-9(18)22-8-17-12(19)7-16(14(17)21)11-5-3-10(4-6-11)13(20)15-2/h3-6H,7-8H2,1-2H3,(H,15,20).
What are the key properties of [3-[4-(methylcarbamoyl)phenyl]-2,5-dioxoimidazolidin-1-yl]methyl acetate?
[3-[4-(methylcarbamoyl)phenyl]-2,5-dioxoimidazolidin-1-yl]methyl acetate has a molecular weight of 305.29 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(methylcarbamoyl)phenyl]-2,5-dioxoimidazolidin-1-yl]methyl acetate is sourced from PubChem (CID 25165110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).