[4-[(Z)-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoylhydrazinylidene]methyl]-2-methoxyphenyl] acetate

C18H22N4O6 — CID 9214062

IUPAC[4-[(Z)-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoylhydrazinylidene]methyl]-2-methoxyphenyl] acetate
SMILESCOc1cc(/C=N\NC(=O)CCN2C(=O)NC(C)(C)C2=O)ccc1OC(C)=O
InChIInChI=1S/C18H22N4O6/c1-11(23)28-13-6-5-12(9-14(13)27-4)10-19-21-15(24)7-8-22-16(25)18(2,3)20-17(22)26/h5-6,9-10H,7-8H2,1-4H3,(H,20,26)(H,21,24)/b19-10-
InChIKeyHDKSXYWOHIGLIU-GRSHGNNSSA-N
MW390.40 g/mol
LogP0.79
Rot. Bonds7

About [4-[(Z)-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoylhydrazinylidene]methyl]-2-methoxyphenyl] acetate

[4-[(Z)-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoylhydrazinylidene]methyl]-2-methoxyphenyl] acetate (PubChem CID 9214062) has the molecular formula C18H22N4O6 and a molecular weight of 390.40 g/mol. Its IUPAC name is [4-[(Z)-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoylhydrazinylidene]methyl]-2-methoxyphenyl] acetate.

Molecular Properties

Compound Name[4-[(Z)-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoylhydrazinylidene]methyl]-2-methoxyphenyl] acetate
PubChem CID9214062
Molecular FormulaC18H22N4O6
Molecular Weight390.40 g/mol
Exact Mass390.15
IUPAC Name[4-[(Z)-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoylhydrazinylidene]methyl]-2-methoxyphenyl] acetate
SMILESCOc1cc(/C=N\NC(=O)CCN2C(=O)NC(C)(C)C2=O)ccc1OC(C)=O
InChIInChI=1S/C18H22N4O6/c1-11(23)28-13-6-5-12(9-14(13)27-4)10-19-21-15(24)7-8-22-16(25)18(2,3)20-17(22)26/h5-6,9-10H,7-8H2,1-4H3,(H,20,26)(H,21,24)/b19-10-
InChIKeyHDKSXYWOHIGLIU-GRSHGNNSSA-N
XLogP0.79
TPSA126.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-[(Z)-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoylhydrazinylidene]methyl]-2-methoxyphenyl] acetate 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

3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]propanamide
CID 9213209
N-[(E)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 135577184
[2-methoxy-4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] acetate
CID 932190
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-furan-2-ylmethylideneamino]propanamide
CID 9213261
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]propanamide
CID 8974460
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-(2-fluorophenyl)methylideneamino]propanamide
CID 9213604
N,N'-bis[(3,4-dimethoxyphenyl)methylideneamino]propanediamide
CID 5144233
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-1-(4-methoxynaphthalen-1-yl)ethylideneamino]propanamide
CID 9214359
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-(4-methylpiperazin-1-yl)propanamide
CID 6893322
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]pentanamide
CID 5381106
[4-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] acetate
CID 6323018
N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]butanediamide
CID 6018005

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoylhydrazinylidene]methyl]-2-methoxyphenyl] acetate?
The IUPAC name of [4-[(Z)-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoylhydrazinylidene]methyl]-2-methoxyphenyl] acetate (CID 9214062) is [4-[(Z)-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoylhydrazinylidene]methyl]-2-methoxyphenyl] acetate.
What is the SMILES notation for [4-[(Z)-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoylhydrazinylidene]methyl]-2-methoxyphenyl] acetate?
The canonical SMILES for [4-[(Z)-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoylhydrazinylidene]methyl]-2-methoxyphenyl] acetate is COc1cc(/C=N\NC(=O)CCN2C(=O)NC(C)(C)C2=O)ccc1OC(C)=O.
What is the InChIKey of [4-[(Z)-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoylhydrazinylidene]methyl]-2-methoxyphenyl] acetate?
The InChIKey is HDKSXYWOHIGLIU-GRSHGNNSSA-N. The full InChI is InChI=1S/C18H22N4O6/c1-11(23)28-13-6-5-12(9-14(13)27-4)10-19-21-15(24)7-8-22-16(25)18(2,3)20-17(22)26/h5-6,9-10H,7-8H2,1-4H3,(H,20,26)(H,21,24)/b19-10-.
What are the key properties of [4-[(Z)-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoylhydrazinylidene]methyl]-2-methoxyphenyl] acetate?
[4-[(Z)-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoylhydrazinylidene]methyl]-2-methoxyphenyl] acetate has a molecular weight of 390.40 g/mol, XLogP of 0.79, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoylhydrazinylidene]methyl]-2-methoxyphenyl] acetate is sourced from PubChem (CID 9214062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).