[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(3,4-dimethylphenyl)-4-oxobutanoate

C17H20N2O5 — CID 9128584

IUPAC[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(3,4-dimethylphenyl)-4-oxobutanoate
SMILESCc1ccc(C(=O)CCC(=O)OCC(=O)N2CCNC2=O)cc1C
InChIInChI=1S/C17H20N2O5/c1-11-3-4-13(9-12(11)2)14(20)5-6-16(22)24-10-15(21)19-8-7-18-17(19)23/h3-4,9H,5-8,10H2,1-2H3,(H,18,23)
InChIKeyRCMITDPTFIEYJZ-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.36
Rot. Bonds6

About [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(3,4-dimethylphenyl)-4-oxobutanoate

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(3,4-dimethylphenyl)-4-oxobutanoate (PubChem CID 9128584) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(3,4-dimethylphenyl)-4-oxobutanoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(3,4-dimethylphenyl)-4-oxobutanoate
PubChem CID9128584
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(3,4-dimethylphenyl)-4-oxobutanoate
SMILESCc1ccc(C(=O)CCC(=O)OCC(=O)N2CCNC2=O)cc1C
InChIInChI=1S/C17H20N2O5/c1-11-3-4-13(9-12(11)2)14(20)5-6-16(22)24-10-15(21)19-8-7-18-17(19)23/h3-4,9H,5-8,10H2,1-2H3,(H,18,23)
InChIKeyRCMITDPTFIEYJZ-UHFFFAOYSA-N
XLogP1.36
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-Oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 2438190
[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
[1-(4-Methylphenyl)-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 24686253
(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
2-(3,4-Dimethylphenyl)-2-oxoethyl 2-(acetylamino)acetate
CID 1616462
[2-Oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 2498034
[1-(4-Tert-butylphenyl)-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 4856274
[1-(2,5-Dimethylphenyl)-1-oxopropan-2-yl] 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 17554954
[1-(3,4-Dimethylphenyl)-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 24365902

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(3,4-dimethylphenyl)-4-oxobutanoate?
The IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(3,4-dimethylphenyl)-4-oxobutanoate (CID 9128584) is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(3,4-dimethylphenyl)-4-oxobutanoate.
What is the SMILES notation for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(3,4-dimethylphenyl)-4-oxobutanoate?
The canonical SMILES for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(3,4-dimethylphenyl)-4-oxobutanoate is Cc1ccc(C(=O)CCC(=O)OCC(=O)N2CCNC2=O)cc1C.
What is the InChIKey of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(3,4-dimethylphenyl)-4-oxobutanoate?
The InChIKey is RCMITDPTFIEYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-11-3-4-13(9-12(11)2)14(20)5-6-16(22)24-10-15(21)19-8-7-18-17(19)23/h3-4,9H,5-8,10H2,1-2H3,(H,18,23).
What are the key properties of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(3,4-dimethylphenyl)-4-oxobutanoate?
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(3,4-dimethylphenyl)-4-oxobutanoate has a molecular weight of 332.36 g/mol, XLogP of 1.36, 6 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-(3,4-dimethylphenyl)-4-oxobutanoate is sourced from PubChem (CID 9128584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).