methyl 2-[4-[(3-ethoxy-4-phenylmethoxy-5-prop-2-enylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate

C25H26N2O6 — CID 3931279

IUPACmethyl 2-[4-[(3-ethoxy-4-phenylmethoxy-5-prop-2-enylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
SMILESC=CCc1cc(C=C2NC(=O)N(CC(=O)OC)C2=O)cc(OCC)c1OCc1ccccc1
InChIInChI=1S/C25H26N2O6/c1-4-9-19-12-18(13-20-24(29)27(25(30)26-20)15-22(28)31-3)14-21(32-5-2)23(19)33-16-17-10-7-6-8-11-17/h4,6-8,10-14H,1,5,9,15-16H2,2-3H3,(H,26,30)
InChIKeyWTLHAKXFFKSXFX-UHFFFAOYSA-N
MW450.49 g/mol
LogP3.46
Rot. Bonds10

About methyl 2-[4-[(3-ethoxy-4-phenylmethoxy-5-prop-2-enylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate

methyl 2-[4-[(3-ethoxy-4-phenylmethoxy-5-prop-2-enylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate (PubChem CID 3931279) has the molecular formula C25H26N2O6 and a molecular weight of 450.49 g/mol. Its IUPAC name is methyl 2-[4-[(3-ethoxy-4-phenylmethoxy-5-prop-2-enylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(3-ethoxy-4-phenylmethoxy-5-prop-2-enylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
PubChem CID3931279
Molecular FormulaC25H26N2O6
Molecular Weight450.49 g/mol
Exact Mass450.18
IUPAC Namemethyl 2-[4-[(3-ethoxy-4-phenylmethoxy-5-prop-2-enylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
SMILESC=CCc1cc(C=C2NC(=O)N(CC(=O)OC)C2=O)cc(OCC)c1OCc1ccccc1
InChIInChI=1S/C25H26N2O6/c1-4-9-19-12-18(13-20-24(29)27(25(30)26-20)15-22(28)31-3)14-21(32-5-2)23(19)33-16-17-10-7-6-8-11-17/h4,6-8,10-14H,1,5,9,15-16H2,2-3H3,(H,26,30)
InChIKeyWTLHAKXFFKSXFX-UHFFFAOYSA-N
XLogP3.46
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethylphenyl)-2-[(4E)-4-[(3-methoxy-4-phenylmethoxy-5-prop-2-enylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 126234826
N-(2-methoxyphenyl)-2-[(4E)-4-[(3-methoxy-4-phenylmethoxy-5-prop-2-enylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 126235069
(5Z)-3-benzyl-5-[(3-methoxy-4-phenylmethoxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione
CID 126213188
2-[(4E)-4-[[3-ethoxy-4-[(4-iodophenyl)methoxy]-5-prop-2-enylphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 126109364
2-[(4E)-4-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]-5-prop-2-enylphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 126029521
5-[(3-ethoxy-4-phenylmethoxy-5-prop-2-enylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 126073284
(5E)-5-[[3-ethoxy-4-[(3-nitrophenyl)methoxy]-5-prop-2-enylphenyl]methylidene]-3-phenylimidazolidine-2,4-dione
CID 126018040
(5E)-5-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]-5-prop-2-enylphenyl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 126111153
methyl 5-[[(4Z)-4-[[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 126403204
5-[(3-ethoxy-4-phenylmethoxy-5-prop-2-enylphenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 3411673
(5E)-5-[[3-methoxy-4-[(4-methylphenyl)methoxy]-5-prop-2-enylphenyl]methylidene]-3-propylimidazolidine-2,4-dione
CID 126250563
(5Z)-3-benzyl-5-[(3,4-dimethoxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione
CID 126201974

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(3-ethoxy-4-phenylmethoxy-5-prop-2-enylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate?
The IUPAC name of methyl 2-[4-[(3-ethoxy-4-phenylmethoxy-5-prop-2-enylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate (CID 3931279) is methyl 2-[4-[(3-ethoxy-4-phenylmethoxy-5-prop-2-enylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-[(3-ethoxy-4-phenylmethoxy-5-prop-2-enylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-[(3-ethoxy-4-phenylmethoxy-5-prop-2-enylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate is C=CCc1cc(C=C2NC(=O)N(CC(=O)OC)C2=O)cc(OCC)c1OCc1ccccc1.
What is the InChIKey of methyl 2-[4-[(3-ethoxy-4-phenylmethoxy-5-prop-2-enylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate?
The InChIKey is WTLHAKXFFKSXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O6/c1-4-9-19-12-18(13-20-24(29)27(25(30)26-20)15-22(28)31-3)14-21(32-5-2)23(19)33-16-17-10-7-6-8-11-17/h4,6-8,10-14H,1,5,9,15-16H2,2-3H3,(H,26,30).
What are the key properties of methyl 2-[4-[(3-ethoxy-4-phenylmethoxy-5-prop-2-enylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate?
methyl 2-[4-[(3-ethoxy-4-phenylmethoxy-5-prop-2-enylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate has a molecular weight of 450.49 g/mol, XLogP of 3.46, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(3-ethoxy-4-phenylmethoxy-5-prop-2-enylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate is sourced from PubChem (CID 3931279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).