methyl 2-[(4E)-4-[[4-(2-methoxy-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetate

C16H16N2O7 — CID 6490208

IUPACmethyl 2-[(4E)-4-[[4-(2-methoxy-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCOC(=O)COc1ccc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc1
InChIInChI=1S/C16H16N2O7/c1-23-13(19)8-18-15(21)12(17-16(18)22)7-10-3-5-11(6-4-10)25-9-14(20)24-2/h3-7H,8-9H2,1-2H3,(H,17,22)/b12-7+
InChIKeySVSMAEMVAUTICP-KPKJPENVSA-N
MW348.31 g/mol
LogP0.30
Rot. Bonds6

About methyl 2-[(4E)-4-[[4-(2-methoxy-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetate

methyl 2-[(4E)-4-[[4-(2-methoxy-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetate (PubChem CID 6490208) has the molecular formula C16H16N2O7 and a molecular weight of 348.31 g/mol. Its IUPAC name is methyl 2-[(4E)-4-[[4-(2-methoxy-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(4E)-4-[[4-(2-methoxy-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
PubChem CID6490208
Molecular FormulaC16H16N2O7
Molecular Weight348.31 g/mol
Exact Mass348.10
IUPAC Namemethyl 2-[(4E)-4-[[4-(2-methoxy-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCOC(=O)COc1ccc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc1
InChIInChI=1S/C16H16N2O7/c1-23-13(19)8-18-15(21)12(17-16(18)22)7-10-3-5-11(6-4-10)25-9-14(20)24-2/h3-7H,8-9H2,1-2H3,(H,17,22)/b12-7+
InChIKeySVSMAEMVAUTICP-KPKJPENVSA-N
XLogP0.30
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.31
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl 2-[(4E)-4-[[4-(2-methoxy-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetate with MolForge

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Related Compounds

ethyl {2-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy}acetate
CID 2287703
methyl 2-[(4E)-4-[(2-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
CID 5790432
methyl 2-[(4E)-4-[(2,4-dimethoxy-3-methylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
CID 5864980
methyl 2-[(4E)-4-[(4,5-dimethoxy-2-methylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
CID 5891052
methyl 2-[(4E)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
CID 6092913
Ethyl {4-[(1-ethyl-5-oxo-2-thioxo-4-imidazolidinylidene)methyl]phenoxy}acetate
CID 5663303
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(2-methoxy-4-methylphenoxy)acetamide
CID 2520949
N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-5-pyrimidinyl]-2-(2-methylphenoxy)-N-(2-methylpropyl)acetamide
CID 2558694
ethyl {4-[(Z)-(5-oxo-1-propyl-2-thioxoimidazolidin-4-ylidene)methyl]phenoxy}acetate
CID 5874829
[2-[(6-Amino-1-butyl-2,4-dioxopyrimidin-5-yl)-pentylamino]-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 24687724
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(2-methylpropyl)acetamide
CID 24979558
2-{4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-2-ethoxyphenoxy}propanoic acid
CID 5733712

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4E)-4-[[4-(2-methoxy-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetate?
The IUPAC name of methyl 2-[(4E)-4-[[4-(2-methoxy-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetate (CID 6490208) is methyl 2-[(4E)-4-[[4-(2-methoxy-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[(4E)-4-[[4-(2-methoxy-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetate?
The canonical SMILES for methyl 2-[(4E)-4-[[4-(2-methoxy-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetate is COC(=O)COc1ccc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc1.
What is the InChIKey of methyl 2-[(4E)-4-[[4-(2-methoxy-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetate?
The InChIKey is SVSMAEMVAUTICP-KPKJPENVSA-N. The full InChI is InChI=1S/C16H16N2O7/c1-23-13(19)8-18-15(21)12(17-16(18)22)7-10-3-5-11(6-4-10)25-9-14(20)24-2/h3-7H,8-9H2,1-2H3,(H,17,22)/b12-7+.
What are the key properties of methyl 2-[(4E)-4-[[4-(2-methoxy-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetate?
methyl 2-[(4E)-4-[[4-(2-methoxy-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetate has a molecular weight of 348.31 g/mol, XLogP of 0.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4E)-4-[[4-(2-methoxy-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetate is sourced from PubChem (CID 6490208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).