[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2,4-dimethylbenzoate

C14H16N2O4 — CID 7373154

IUPAC[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2,4-dimethylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)N2CCNC2=O)c(C)c1
InChIInChI=1S/C14H16N2O4/c1-9-3-4-11(10(2)7-9)13(18)20-8-12(17)16-6-5-15-14(16)19/h3-4,7H,5-6,8H2,1-2H3,(H,15,19)
InChIKeySNZPZVRBUJHPJU-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.01
Rot. Bonds3

About [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2,4-dimethylbenzoate

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2,4-dimethylbenzoate (PubChem CID 7373154) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2,4-dimethylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2,4-dimethylbenzoate
PubChem CID7373154
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2,4-dimethylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)N2CCNC2=O)c(C)c1
InChIInChI=1S/C14H16N2O4/c1-9-3-4-11(10(2)7-9)13(18)20-8-12(17)16-6-5-15-14(16)19/h3-4,7H,5-6,8H2,1-2H3,(H,15,19)
InChIKeySNZPZVRBUJHPJU-UHFFFAOYSA-N
XLogP1.01
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2,4-dimethylbenzoate?
The IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2,4-dimethylbenzoate (CID 7373154) is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2,4-dimethylbenzoate.
What is the SMILES notation for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2,4-dimethylbenzoate?
The canonical SMILES for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2,4-dimethylbenzoate is Cc1ccc(C(=O)OCC(=O)N2CCNC2=O)c(C)c1.
What is the InChIKey of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2,4-dimethylbenzoate?
The InChIKey is SNZPZVRBUJHPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-9-3-4-11(10(2)7-9)13(18)20-8-12(17)16-6-5-15-14(16)19/h3-4,7H,5-6,8H2,1-2H3,(H,15,19).
What are the key properties of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2,4-dimethylbenzoate?
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2,4-dimethylbenzoate has a molecular weight of 276.29 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2,4-dimethylbenzoate is sourced from PubChem (CID 7373154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).