methyl 5-ethyl-2-[[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]benzoate

C15H19N3O4 — CID 47086638

IUPACmethyl 5-ethyl-2-[[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]benzoate
SMILESCCc1ccc(NCC(=O)N2CCNC2=O)c(C(=O)OC)c1
InChIInChI=1S/C15H19N3O4/c1-3-10-4-5-12(11(8-10)14(20)22-2)17-9-13(19)18-7-6-16-15(18)21/h4-5,8,17H,3,6-7,9H2,1-2H3,(H,16,21)
InChIKeyOIEOABTWDRNYKS-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.00
Rot. Bonds5

About methyl 5-ethyl-2-[[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]benzoate

methyl 5-ethyl-2-[[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]benzoate (PubChem CID 47086638) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is methyl 5-ethyl-2-[[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 5-ethyl-2-[[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]benzoate
PubChem CID47086638
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Namemethyl 5-ethyl-2-[[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]benzoate
SMILESCCc1ccc(NCC(=O)N2CCNC2=O)c(C(=O)OC)c1
InChIInChI=1S/C15H19N3O4/c1-3-10-4-5-12(11(8-10)14(20)22-2)17-9-13(19)18-7-6-16-15(18)21/h4-5,8,17H,3,6-7,9H2,1-2H3,(H,16,21)
InChIKeyOIEOABTWDRNYKS-UHFFFAOYSA-N
XLogP1.00
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-ethyl-2-[[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]benzoate?
The IUPAC name of methyl 5-ethyl-2-[[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]benzoate (CID 47086638) is methyl 5-ethyl-2-[[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]benzoate.
What is the SMILES notation for methyl 5-ethyl-2-[[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]benzoate?
The canonical SMILES for methyl 5-ethyl-2-[[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]benzoate is CCc1ccc(NCC(=O)N2CCNC2=O)c(C(=O)OC)c1.
What is the InChIKey of methyl 5-ethyl-2-[[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]benzoate?
The InChIKey is OIEOABTWDRNYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-3-10-4-5-12(11(8-10)14(20)22-2)17-9-13(19)18-7-6-16-15(18)21/h4-5,8,17H,3,6-7,9H2,1-2H3,(H,16,21).
What are the key properties of methyl 5-ethyl-2-[[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]benzoate?
methyl 5-ethyl-2-[[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]benzoate has a molecular weight of 305.33 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethyl-2-[[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]benzoate is sourced from PubChem (CID 47086638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).