5-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione

C16H18N2O4 — CID 5025593

IUPAC5-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
SMILESC=CCN1C(=O)NC(=Cc2ccc(OC)c(OCC)c2)C1=O
InChIInChI=1S/C16H18N2O4/c1-4-8-18-15(19)12(17-16(18)20)9-11-6-7-13(21-3)14(10-11)22-5-2/h4,6-7,9-10H,1,5,8H2,2-3H3,(H,17,20)
InChIKeyCRKQOZXQFYIVTN-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.17
Rot. Bonds6

About 5-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione

5-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione (PubChem CID 5025593) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 5-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
PubChem CID5025593
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name5-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
SMILESC=CCN1C(=O)NC(=Cc2ccc(OC)c(OCC)c2)C1=O
InChIInChI=1S/C16H18N2O4/c1-4-8-18-15(19)12(17-16(18)20)9-11-6-7-13(21-3)14(10-11)22-5-2/h4,6-7,9-10H,1,5,8H2,2-3H3,(H,17,20)
InChIKeyCRKQOZXQFYIVTN-UHFFFAOYSA-N
XLogP2.17
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

Analyze 5-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-ethylimidazolidine-2,4-dione
CID 835219
5-[(3-chloro-4-methoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 4654737
(5E)-5-[(3-iodo-4-methoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126137128
(5E)-3-benzyl-5-[(3-ethoxy-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 126199339
(5E)-5-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126133264
(5E)-5-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 1021341
(5E)-5-[[3-ethoxy-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126129725
(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-ethylimidazolidine-2,4-dione
CID 5426863
(5E)-5-[(3-methoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126145833
(5Z)-5-[(3-iodo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126132727
(5E)-3-(3-chloropropyl)-5-[(3,4-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 118050374
5-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 2865683

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione?
The IUPAC name of 5-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione (CID 5025593) is 5-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione?
The canonical SMILES for 5-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione is C=CCN1C(=O)NC(=Cc2ccc(OC)c(OCC)c2)C1=O.
What is the InChIKey of 5-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione?
The InChIKey is CRKQOZXQFYIVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-4-8-18-15(19)12(17-16(18)20)9-11-6-7-13(21-3)14(10-11)22-5-2/h4,6-7,9-10H,1,5,8H2,2-3H3,(H,17,20).
What are the key properties of 5-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione?
5-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione has a molecular weight of 302.33 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione is sourced from PubChem (CID 5025593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).