5-butan-2-yl-2-ethyl-3-[1-(oxolan-2-yl)ethyl]imidazolidin-4-one

C15H28N2O2 — CID 83243866

IUPAC5-butan-2-yl-2-ethyl-3-[1-(oxolan-2-yl)ethyl]imidazolidin-4-one
SMILESCCC(C)C1NC(CC)N(C(C)C2CCCO2)C1=O
InChIInChI=1S/C15H28N2O2/c1-5-10(3)14-15(18)17(13(6-2)16-14)11(4)12-8-7-9-19-12/h10-14,16H,5-9H2,1-4H3
InChIKeyLHQQGUSDVJDTPC-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.14
Rot. Bonds5

About 5-butan-2-yl-2-ethyl-3-[1-(oxolan-2-yl)ethyl]imidazolidin-4-one

5-butan-2-yl-2-ethyl-3-[1-(oxolan-2-yl)ethyl]imidazolidin-4-one (PubChem CID 83243866) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 5-butan-2-yl-2-ethyl-3-[1-(oxolan-2-yl)ethyl]imidazolidin-4-one.

Molecular Properties

Compound Name5-butan-2-yl-2-ethyl-3-[1-(oxolan-2-yl)ethyl]imidazolidin-4-one
PubChem CID83243866
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name5-butan-2-yl-2-ethyl-3-[1-(oxolan-2-yl)ethyl]imidazolidin-4-one
SMILESCCC(C)C1NC(CC)N(C(C)C2CCCO2)C1=O
InChIInChI=1S/C15H28N2O2/c1-5-10(3)14-15(18)17(13(6-2)16-14)11(4)12-8-7-9-19-12/h10-14,16H,5-9H2,1-4H3
InChIKeyLHQQGUSDVJDTPC-UHFFFAOYSA-N
XLogP2.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-ethyl-3-[1-(oxolan-2-yl)ethyl]imidazolidin-4-one?
The IUPAC name of 5-butan-2-yl-2-ethyl-3-[1-(oxolan-2-yl)ethyl]imidazolidin-4-one (CID 83243866) is 5-butan-2-yl-2-ethyl-3-[1-(oxolan-2-yl)ethyl]imidazolidin-4-one.
What is the SMILES notation for 5-butan-2-yl-2-ethyl-3-[1-(oxolan-2-yl)ethyl]imidazolidin-4-one?
The canonical SMILES for 5-butan-2-yl-2-ethyl-3-[1-(oxolan-2-yl)ethyl]imidazolidin-4-one is CCC(C)C1NC(CC)N(C(C)C2CCCO2)C1=O.
What is the InChIKey of 5-butan-2-yl-2-ethyl-3-[1-(oxolan-2-yl)ethyl]imidazolidin-4-one?
The InChIKey is LHQQGUSDVJDTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-5-10(3)14-15(18)17(13(6-2)16-14)11(4)12-8-7-9-19-12/h10-14,16H,5-9H2,1-4H3.
What are the key properties of 5-butan-2-yl-2-ethyl-3-[1-(oxolan-2-yl)ethyl]imidazolidin-4-one?
5-butan-2-yl-2-ethyl-3-[1-(oxolan-2-yl)ethyl]imidazolidin-4-one has a molecular weight of 268.40 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-ethyl-3-[1-(oxolan-2-yl)ethyl]imidazolidin-4-one is sourced from PubChem (CID 83243866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).