methyl 3-[2-(2,4-dimethylphenyl)-5-oxoimidazolidin-1-yl]propanoate

C15H20N2O3 — CID 83255760

IUPACmethyl 3-[2-(2,4-dimethylphenyl)-5-oxoimidazolidin-1-yl]propanoate
SMILESCOC(=O)CCN1C(=O)CNC1c1ccc(C)cc1C
InChIInChI=1S/C15H20N2O3/c1-10-4-5-12(11(2)8-10)15-16-9-13(18)17(15)7-6-14(19)20-3/h4-5,8,15-16H,6-7,9H2,1-3H3
InChIKeyURTVMRFRJXBNBJ-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.30
Rot. Bonds4

About methyl 3-[2-(2,4-dimethylphenyl)-5-oxoimidazolidin-1-yl]propanoate

methyl 3-[2-(2,4-dimethylphenyl)-5-oxoimidazolidin-1-yl]propanoate (PubChem CID 83255760) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl 3-[2-(2,4-dimethylphenyl)-5-oxoimidazolidin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(2,4-dimethylphenyl)-5-oxoimidazolidin-1-yl]propanoate
PubChem CID83255760
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namemethyl 3-[2-(2,4-dimethylphenyl)-5-oxoimidazolidin-1-yl]propanoate
SMILESCOC(=O)CCN1C(=O)CNC1c1ccc(C)cc1C
InChIInChI=1S/C15H20N2O3/c1-10-4-5-12(11(2)8-10)15-16-9-13(18)17(15)7-6-14(19)20-3/h4-5,8,15-16H,6-7,9H2,1-3H3
InChIKeyURTVMRFRJXBNBJ-UHFFFAOYSA-N
XLogP1.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(2,4-dimethylphenyl)-5-oxoimidazolidin-1-yl]propanoate?
The IUPAC name of methyl 3-[2-(2,4-dimethylphenyl)-5-oxoimidazolidin-1-yl]propanoate (CID 83255760) is methyl 3-[2-(2,4-dimethylphenyl)-5-oxoimidazolidin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[2-(2,4-dimethylphenyl)-5-oxoimidazolidin-1-yl]propanoate?
The canonical SMILES for methyl 3-[2-(2,4-dimethylphenyl)-5-oxoimidazolidin-1-yl]propanoate is COC(=O)CCN1C(=O)CNC1c1ccc(C)cc1C.
What is the InChIKey of methyl 3-[2-(2,4-dimethylphenyl)-5-oxoimidazolidin-1-yl]propanoate?
The InChIKey is URTVMRFRJXBNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-4-5-12(11(2)8-10)15-16-9-13(18)17(15)7-6-14(19)20-3/h4-5,8,15-16H,6-7,9H2,1-3H3.
What are the key properties of methyl 3-[2-(2,4-dimethylphenyl)-5-oxoimidazolidin-1-yl]propanoate?
methyl 3-[2-(2,4-dimethylphenyl)-5-oxoimidazolidin-1-yl]propanoate has a molecular weight of 276.34 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(2,4-dimethylphenyl)-5-oxoimidazolidin-1-yl]propanoate is sourced from PubChem (CID 83255760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).