[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate

C20H26N2O5 — CID 2498034

IUPAC[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCCC1(CC)NC(=O)N(CC(=O)OCC(=O)c2cc(C)c(C)cc2C)C1=O
InChIInChI=1S/C20H26N2O5/c1-6-20(7-2)18(25)22(19(26)21-20)10-17(24)27-11-16(23)15-9-13(4)12(3)8-14(15)5/h8-9H,6-7,10-11H2,1-5H3,(H,21,26)
InChIKeyLWPWHDZHEOTSDO-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.45
Rot. Bonds7

About [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate

[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate (PubChem CID 2498034) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
PubChem CID2498034
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Name[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCCC1(CC)NC(=O)N(CC(=O)OCC(=O)c2cc(C)c(C)cc2C)C1=O
InChIInChI=1S/C20H26N2O5/c1-6-20(7-2)18(25)22(19(26)21-20)10-17(24)27-11-16(23)15-9-13(4)12(3)8-14(15)5/h8-9H,6-7,10-11H2,1-5H3,(H,21,26)
InChIKeyLWPWHDZHEOTSDO-UHFFFAOYSA-N
XLogP2.45
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The IUPAC name of [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate (CID 2498034) is [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate.
What is the SMILES notation for [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The canonical SMILES for [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate is CCC1(CC)NC(=O)N(CC(=O)OCC(=O)c2cc(C)c(C)cc2C)C1=O.
What is the InChIKey of [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The InChIKey is LWPWHDZHEOTSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-6-20(7-2)18(25)22(19(26)21-20)10-17(24)27-11-16(23)15-9-13(4)12(3)8-14(15)5/h8-9H,6-7,10-11H2,1-5H3,(H,21,26).
What are the key properties of [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate has a molecular weight of 374.44 g/mol, XLogP of 2.45, 7 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-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate is sourced from PubChem (CID 2498034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).