[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(2-oxopyrrolidin-1-yl)benzoate

C16H17N3O5 — CID 7952818

IUPAC[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
SMILESO=C(OCC(=O)N1CCNC1=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C16H17N3O5/c20-13-2-1-8-18(13)12-5-3-11(4-6-12)15(22)24-10-14(21)19-9-7-17-16(19)23/h3-6H,1-2,7-10H2,(H,17,23)
InChIKeyIUUPFKCVVMLHMS-UHFFFAOYSA-N
MW331.33 g/mol
LogP0.52
Rot. Bonds4

About [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(2-oxopyrrolidin-1-yl)benzoate

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(2-oxopyrrolidin-1-yl)benzoate (PubChem CID 7952818) has the molecular formula C16H17N3O5 and a molecular weight of 331.33 g/mol. Its IUPAC name is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(2-oxopyrrolidin-1-yl)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
PubChem CID7952818
Molecular FormulaC16H17N3O5
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
SMILESO=C(OCC(=O)N1CCNC1=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C16H17N3O5/c20-13-2-1-8-18(13)12-5-3-11(4-6-12)15(22)24-10-14(21)19-9-7-17-16(19)23/h3-6H,1-2,7-10H2,(H,17,23)
InChIKeyIUUPFKCVVMLHMS-UHFFFAOYSA-N
XLogP0.52
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7404793
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] pyridine-4-carboxylate
CID 7783725
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(dimethylamino)benzoate
CID 8533602
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-hydroxybenzoate
CID 8647274
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] benzoate
CID 8648324
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(5-methylpyrazol-1-yl)benzoate
CID 8554135
[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7404923
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-aminobenzoate
CID 7890817
[2-(4-bromophenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 3557850
[2-(4-ethylphenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 3342322
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(azepan-1-ylsulfonyl)benzoate
CID 8705386
[2-(methylcarbamoylamino)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7952856

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(2-oxopyrrolidin-1-yl)benzoate?
The IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(2-oxopyrrolidin-1-yl)benzoate (CID 7952818) is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(2-oxopyrrolidin-1-yl)benzoate.
What is the SMILES notation for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(2-oxopyrrolidin-1-yl)benzoate?
The canonical SMILES for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(2-oxopyrrolidin-1-yl)benzoate is O=C(OCC(=O)N1CCNC1=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(2-oxopyrrolidin-1-yl)benzoate?
The InChIKey is IUUPFKCVVMLHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5/c20-13-2-1-8-18(13)12-5-3-11(4-6-12)15(22)24-10-14(21)19-9-7-17-16(19)23/h3-6H,1-2,7-10H2,(H,17,23).
What are the key properties of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(2-oxopyrrolidin-1-yl)benzoate?
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(2-oxopyrrolidin-1-yl)benzoate has a molecular weight of 331.33 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(2-oxopyrrolidin-1-yl)benzoate is sourced from PubChem (CID 7952818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).