(2-ethylcyclohexyl) 4-(2-oxoimidazolidin-1-yl)benzoate

C18H24N2O3 — CID 78831748

IUPAC(2-ethylcyclohexyl) 4-(2-oxoimidazolidin-1-yl)benzoate
SMILESCCC1CCCCC1OC(=O)c1ccc(N2CCNC2=O)cc1
InChIInChI=1S/C18H24N2O3/c1-2-13-5-3-4-6-16(13)23-17(21)14-7-9-15(10-8-14)20-12-11-19-18(20)22/h7-10,13,16H,2-6,11-12H2,1H3,(H,19,22)
InChIKeyABXZPRXUSRRAGF-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.34
Rot. Bonds4

About (2-ethylcyclohexyl) 4-(2-oxoimidazolidin-1-yl)benzoate

(2-ethylcyclohexyl) 4-(2-oxoimidazolidin-1-yl)benzoate (PubChem CID 78831748) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is (2-ethylcyclohexyl) 4-(2-oxoimidazolidin-1-yl)benzoate.

Molecular Properties

Compound Name(2-ethylcyclohexyl) 4-(2-oxoimidazolidin-1-yl)benzoate
PubChem CID78831748
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name(2-ethylcyclohexyl) 4-(2-oxoimidazolidin-1-yl)benzoate
SMILESCCC1CCCCC1OC(=O)c1ccc(N2CCNC2=O)cc1
InChIInChI=1S/C18H24N2O3/c1-2-13-5-3-4-6-16(13)23-17(21)14-7-9-15(10-8-14)20-12-11-19-18(20)22/h7-10,13,16H,2-6,11-12H2,1H3,(H,19,22)
InChIKeyABXZPRXUSRRAGF-UHFFFAOYSA-N
XLogP3.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-ethylcyclohexyl) 4-(2-oxoimidazolidin-1-yl)benzoate?
The IUPAC name of (2-ethylcyclohexyl) 4-(2-oxoimidazolidin-1-yl)benzoate (CID 78831748) is (2-ethylcyclohexyl) 4-(2-oxoimidazolidin-1-yl)benzoate.
What is the SMILES notation for (2-ethylcyclohexyl) 4-(2-oxoimidazolidin-1-yl)benzoate?
The canonical SMILES for (2-ethylcyclohexyl) 4-(2-oxoimidazolidin-1-yl)benzoate is CCC1CCCCC1OC(=O)c1ccc(N2CCNC2=O)cc1.
What is the InChIKey of (2-ethylcyclohexyl) 4-(2-oxoimidazolidin-1-yl)benzoate?
The InChIKey is ABXZPRXUSRRAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-2-13-5-3-4-6-16(13)23-17(21)14-7-9-15(10-8-14)20-12-11-19-18(20)22/h7-10,13,16H,2-6,11-12H2,1H3,(H,19,22).
What are the key properties of (2-ethylcyclohexyl) 4-(2-oxoimidazolidin-1-yl)benzoate?
(2-ethylcyclohexyl) 4-(2-oxoimidazolidin-1-yl)benzoate has a molecular weight of 316.40 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylcyclohexyl) 4-(2-oxoimidazolidin-1-yl)benzoate is sourced from PubChem (CID 78831748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).