[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate

C18H24N2O5 — CID 46621587

IUPAC[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
SMILESCc1cc(OCC(=O)OC(C)C(=O)N2CCNC2=O)ccc1C(C)C
InChIInChI=1S/C18H24N2O5/c1-11(2)15-6-5-14(9-12(15)3)24-10-16(21)25-13(4)17(22)20-8-7-19-18(20)23/h5-6,9,11,13H,7-8,10H2,1-4H3,(H,19,23)
InChIKeyZQFFWMOCKNDIHS-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.98
Rot. Bonds6

About [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate

[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate (PubChem CID 46621587) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate.

Molecular Properties

Compound Name[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
PubChem CID46621587
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
SMILESCc1cc(OCC(=O)OC(C)C(=O)N2CCNC2=O)ccc1C(C)C
InChIInChI=1S/C18H24N2O5/c1-11(2)15-6-5-14(9-12(15)3)24-10-16(21)25-13(4)17(22)20-8-7-19-18(20)23/h5-6,9,11,13H,7-8,10H2,1-4H3,(H,19,23)
InChIKeyZQFFWMOCKNDIHS-UHFFFAOYSA-N
XLogP1.98
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate with MolForge

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Related Compounds

[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate
CID 8737791
2-(3-methyl-4-propan-2-ylphenoxy)-1-piperazin-1-ylethanone;hydrochloride
CID 119403032
[(2R)-1-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-1-oxopropan-2-yl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
CID 8637989
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 46622135
[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-(3,4-dimethylphenyl)sulfanylpropanoate
CID 8879248
[1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
CID 55420843
1-(azepan-1-yl)-2-(3-methyl-4-propan-2-ylphenoxy)ethanone
CID 134007939
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2,4,6-trimethylbenzoate
CID 18169660
[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
CID 8637869
[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 2-(3,4-dimethylphenoxy)acetate
CID 42972023
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 30820093
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
CID 8854956

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate?
The IUPAC name of [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate (CID 46621587) is [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate.
What is the SMILES notation for [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate?
The canonical SMILES for [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate is Cc1cc(OCC(=O)OC(C)C(=O)N2CCNC2=O)ccc1C(C)C.
What is the InChIKey of [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate?
The InChIKey is ZQFFWMOCKNDIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-11(2)15-6-5-14(9-12(15)3)24-10-16(21)25-13(4)17(22)20-8-7-19-18(20)23/h5-6,9,11,13H,7-8,10H2,1-4H3,(H,19,23).
What are the key properties of [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate?
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate has a molecular weight of 348.40 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate is sourced from PubChem (CID 46621587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).