methyl 2-[(4E)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate

C16H18N2O6 — CID 6291563

IUPACmethyl 2-[(4E)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)ccc1OC
InChIInChI=1S/C16H18N2O6/c1-4-24-13-8-10(5-6-12(13)22-2)7-11-15(20)18(16(21)17-11)9-14(19)23-3/h5-8H,4,9H2,1-3H3,(H,17,21)/b11-7+
InChIKeyLSMMFHYNHSFVGJ-YRNVUSSQSA-N
MW334.33 g/mol
LogP1.16
Rot. Bonds6

About methyl 2-[(4E)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate

methyl 2-[(4E)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate (PubChem CID 6291563) has the molecular formula C16H18N2O6 and a molecular weight of 334.33 g/mol. Its IUPAC name is methyl 2-[(4E)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(4E)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
PubChem CID6291563
Molecular FormulaC16H18N2O6
Molecular Weight334.33 g/mol
Exact Mass334.12
IUPAC Namemethyl 2-[(4E)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)ccc1OC
InChIInChI=1S/C16H18N2O6/c1-4-24-13-8-10(5-6-12(13)22-2)7-11-15(20)18(16(21)17-11)9-14(19)23-3/h5-8H,4,9H2,1-3H3,(H,17,21)/b11-7+
InChIKeyLSMMFHYNHSFVGJ-YRNVUSSQSA-N
XLogP1.16
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4E)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate?
The IUPAC name of methyl 2-[(4E)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate (CID 6291563) is methyl 2-[(4E)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[(4E)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate?
The canonical SMILES for methyl 2-[(4E)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate is CCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)ccc1OC.
What is the InChIKey of methyl 2-[(4E)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate?
The InChIKey is LSMMFHYNHSFVGJ-YRNVUSSQSA-N. The full InChI is InChI=1S/C16H18N2O6/c1-4-24-13-8-10(5-6-12(13)22-2)7-11-15(20)18(16(21)17-11)9-14(19)23-3/h5-8H,4,9H2,1-3H3,(H,17,21)/b11-7+.
What are the key properties of methyl 2-[(4E)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate?
methyl 2-[(4E)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate has a molecular weight of 334.33 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4E)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate is sourced from PubChem (CID 6291563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).