[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate

C20H24N2O5 — CID 2438190

IUPAC[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
SMILESCc1cc(C)c(C(=O)COC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1C
InChIInChI=1S/C20H24N2O5/c1-12-8-14(3)15(9-13(12)2)16(23)11-27-17(24)10-22-18(25)20(21-19(22)26)6-4-5-7-20/h8-9H,4-7,10-11H2,1-3H3,(H,21,26)
InChIKeyQZILXOWBWKIMBU-UHFFFAOYSA-N
MW372.42 g/mol
LogP2.20
Rot. Bonds5

About [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate

[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate (PubChem CID 2438190) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
PubChem CID2438190
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
SMILESCc1cc(C)c(C(=O)COC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1C
InChIInChI=1S/C20H24N2O5/c1-12-8-14(3)15(9-13(12)2)16(23)11-27-17(24)10-22-18(25)20(21-19(22)26)6-4-5-7-20/h8-9H,4-7,10-11H2,1-3H3,(H,21,26)
InChIKeyQZILXOWBWKIMBU-UHFFFAOYSA-N
XLogP2.20
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)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

[2-(4-Fluorophenyl)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7209840
[2-Oxo-2-(4-propylphenyl)ethyl] 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 16329469
[1-(4-Ethylphenyl)-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 18270772
(4-Tert-butyl-2,6-dimethylphenyl)methyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7821999
[1-(4-Methylphenyl)-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 24686253
[2-(3-Chlorophenyl)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 4782073
(1-Oxo-1-phenylpropan-2-yl) 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 4877178
[2-Oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2,4-dimethylbenzoate
CID 7373154
[2-(4-Tert-butylphenyl)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7821432
(1-Oxo-1-phenylpropan-2-yl) 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 24982111
[2-Oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 2498034
2-(3,4-dimethylphenyl)-2-oxoethyl (1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)acetate
CID 2883160

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
The IUPAC name of [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate (CID 2438190) is [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate.
What is the SMILES notation for [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
The canonical SMILES for [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate is Cc1cc(C)c(C(=O)COC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1C.
What is the InChIKey of [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
The InChIKey is QZILXOWBWKIMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-12-8-14(3)15(9-13(12)2)16(23)11-27-17(24)10-22-18(25)20(21-19(22)26)6-4-5-7-20/h8-9H,4-7,10-11H2,1-3H3,(H,21,26).
What are the key properties of [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate has a molecular weight of 372.42 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate is sourced from PubChem (CID 2438190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).