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

C14H17N3O4 — CID 8533602

IUPAC[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(dimethylamino)benzoate
SMILESCN(C)c1ccc(C(=O)OCC(=O)N2CCNC2=O)cc1
InChIInChI=1S/C14H17N3O4/c1-16(2)11-5-3-10(4-6-11)13(19)21-9-12(18)17-8-7-15-14(17)20/h3-6H,7-9H2,1-2H3,(H,15,20)
InChIKeyIGLOZYVLFSAUPM-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.46
Rot. Bonds4

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

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(dimethylamino)benzoate (PubChem CID 8533602) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(dimethylamino)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(dimethylamino)benzoate
PubChem CID8533602
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(dimethylamino)benzoate
SMILESCN(C)c1ccc(C(=O)OCC(=O)N2CCNC2=O)cc1
InChIInChI=1S/C14H17N3O4/c1-16(2)11-5-3-10(4-6-11)13(19)21-9-12(18)17-8-7-15-14(17)20/h3-6H,7-9H2,1-2H3,(H,15,20)
InChIKeyIGLOZYVLFSAUPM-UHFFFAOYSA-N
XLogP0.46
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(dimethylamino)benzoate?
The IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(dimethylamino)benzoate (CID 8533602) is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(dimethylamino)benzoate.
What is the SMILES notation for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(dimethylamino)benzoate?
The canonical SMILES for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(dimethylamino)benzoate is CN(C)c1ccc(C(=O)OCC(=O)N2CCNC2=O)cc1.
What is the InChIKey of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(dimethylamino)benzoate?
The InChIKey is IGLOZYVLFSAUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-16(2)11-5-3-10(4-6-11)13(19)21-9-12(18)17-8-7-15-14(17)20/h3-6H,7-9H2,1-2H3,(H,15,20).
What are the key properties of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(dimethylamino)benzoate?
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(dimethylamino)benzoate has a molecular weight of 291.31 g/mol, XLogP of 0.46, 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-(dimethylamino)benzoate is sourced from PubChem (CID 8533602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).