[(4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl] 5-ethylnonanoate

C23H32N2O6 — CID 87135142

IUPAC[(4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl] 5-ethylnonanoate
SMILESCCCCC(CC)CCCC(=O)ON1C(=O)N/C(=C/c2ccc(OC)c(OC)c2)C1=O
InChIInChI=1S/C23H32N2O6/c1-5-7-9-16(6-2)10-8-11-21(26)31-25-22(27)18(24-23(25)28)14-17-12-13-19(29-3)20(15-17)30-4/h12-16H,5-11H2,1-4H3,(H,24,28)/b18-14+
InChIKeyUKIZLABWVAFJBA-NBVRZTHBSA-N
MW432.52 g/mol
LogP4.44
Rot. Bonds12

About [(4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl] 5-ethylnonanoate

[(4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl] 5-ethylnonanoate (PubChem CID 87135142) has the molecular formula C23H32N2O6 and a molecular weight of 432.52 g/mol. Its IUPAC name is [(4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl] 5-ethylnonanoate.

Molecular Properties

Compound Name[(4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl] 5-ethylnonanoate
PubChem CID87135142
Molecular FormulaC23H32N2O6
Molecular Weight432.52 g/mol
Exact Mass432.23
IUPAC Name[(4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl] 5-ethylnonanoate
SMILESCCCCC(CC)CCCC(=O)ON1C(=O)N/C(=C/c2ccc(OC)c(OC)c2)C1=O
InChIInChI=1S/C23H32N2O6/c1-5-7-9-16(6-2)10-8-11-21(26)31-25-22(27)18(24-23(25)28)14-17-12-13-19(29-3)20(15-17)30-4/h12-16H,5-11H2,1-4H3,(H,24,28)/b18-14+
InChIKeyUKIZLABWVAFJBA-NBVRZTHBSA-N
XLogP4.44
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.44
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'}

Analyze [(4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl] 5-ethylnonanoate 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

(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-ethylimidazolidine-2,4-dione
CID 5426863
2-[(4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 6491916
(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-3-propyl-2-sulfanylideneimidazolidin-4-one
CID 17465390
3-(3,4-dimethoxyphenyl)-N-(2-ethylhexyl)prop-2-enamide
CID 3881543
(5E)-3-(3-chloropropyl)-5-[(3,4-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 118050374
(5Z)-3-ethyl-5-[(3-methoxy-4-propan-2-yloxyphenyl)methylidene]imidazolidine-2,4-dione
CID 5411340
(5E)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-3-propylimidazolidine-2,4-dione
CID 126226720
5-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-ethylimidazolidine-2,4-dione
CID 835219
2-ethylhexyl 3-[(4E)-4-[(2,3-dimethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]propanoate
CID 67905338
2-[(4E)-4-[[4-[(2R)-butan-2-yl]oxy-3-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 126030388
(5Z)-5-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-3-propyl-2-sulfanylideneimidazolidin-4-one
CID 6282682
5-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 5025593

Frequently Asked Questions

What is the IUPAC name of [(4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl] 5-ethylnonanoate?
The IUPAC name of [(4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl] 5-ethylnonanoate (CID 87135142) is [(4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl] 5-ethylnonanoate.
What is the SMILES notation for [(4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl] 5-ethylnonanoate?
The canonical SMILES for [(4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl] 5-ethylnonanoate is CCCCC(CC)CCCC(=O)ON1C(=O)N/C(=C/c2ccc(OC)c(OC)c2)C1=O.
What is the InChIKey of [(4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl] 5-ethylnonanoate?
The InChIKey is UKIZLABWVAFJBA-NBVRZTHBSA-N. The full InChI is InChI=1S/C23H32N2O6/c1-5-7-9-16(6-2)10-8-11-21(26)31-25-22(27)18(24-23(25)28)14-17-12-13-19(29-3)20(15-17)30-4/h12-16H,5-11H2,1-4H3,(H,24,28)/b18-14+.
What are the key properties of [(4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl] 5-ethylnonanoate?
[(4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl] 5-ethylnonanoate has a molecular weight of 432.52 g/mol, XLogP of 4.44, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl] 5-ethylnonanoate is sourced from PubChem (CID 87135142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).