3-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione

C15H19N3O4 — CID 135614075

IUPAC3-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione
SMILESCCOc1ccc(/C=N/N2C(=O)NC(C)(CC)C2=O)c(O)c1
InChIInChI=1S/C15H19N3O4/c1-4-15(3)13(20)18(14(21)17-15)16-9-10-6-7-11(22-5-2)8-12(10)19/h6-9,19H,4-5H2,1-3H3,(H,17,21)/b16-9+
InChIKeyWTFCMTGAYHCVJQ-CXUHLZMHSA-N
MW305.33 g/mol
LogP1.85
Rot. Bonds5

About 3-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione

3-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione (PubChem CID 135614075) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 3-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione
PubChem CID135614075
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name3-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione
SMILESCCOc1ccc(/C=N/N2C(=O)NC(C)(CC)C2=O)c(O)c1
InChIInChI=1S/C15H19N3O4/c1-4-15(3)13(20)18(14(21)17-15)16-9-10-6-7-11(22-5-2)8-12(10)19/h6-9,19H,4-5H2,1-3H3,(H,17,21)/b16-9+
InChIKeyWTFCMTGAYHCVJQ-CXUHLZMHSA-N
XLogP1.85
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-5-ethyl-5-methylimidazolidine-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

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione (CID 135614075) is 3-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione is CCOc1ccc(/C=N/N2C(=O)NC(C)(CC)C2=O)c(O)c1.
What is the InChIKey of 3-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione?
The InChIKey is WTFCMTGAYHCVJQ-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-4-15(3)13(20)18(14(21)17-15)16-9-10-6-7-11(22-5-2)8-12(10)19/h6-9,19H,4-5H2,1-3H3,(H,17,21)/b16-9+.
What are the key properties of 3-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione?
3-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione has a molecular weight of 305.33 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 135614075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).