3-(1-methoxybutan-2-yl)-5-(2-methylpropyl)imidazolidin-4-one

C12H24N2O2 — CID 83258633

IUPAC3-(1-methoxybutan-2-yl)-5-(2-methylpropyl)imidazolidin-4-one
SMILESCCC(COC)N1CNC(CC(C)C)C1=O
InChIInChI=1S/C12H24N2O2/c1-5-10(7-16-4)14-8-13-11(12(14)15)6-9(2)3/h9-11,13H,5-8H2,1-4H3
InChIKeyQRPWJCHKZZIVGH-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.22
Rot. Bonds6

About 3-(1-methoxybutan-2-yl)-5-(2-methylpropyl)imidazolidin-4-one

3-(1-methoxybutan-2-yl)-5-(2-methylpropyl)imidazolidin-4-one (PubChem CID 83258633) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-(1-methoxybutan-2-yl)-5-(2-methylpropyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-(1-methoxybutan-2-yl)-5-(2-methylpropyl)imidazolidin-4-one
PubChem CID83258633
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-(1-methoxybutan-2-yl)-5-(2-methylpropyl)imidazolidin-4-one
SMILESCCC(COC)N1CNC(CC(C)C)C1=O
InChIInChI=1S/C12H24N2O2/c1-5-10(7-16-4)14-8-13-11(12(14)15)6-9(2)3/h9-11,13H,5-8H2,1-4H3
InChIKeyQRPWJCHKZZIVGH-UHFFFAOYSA-N
XLogP1.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxybutan-2-yl)-5-(2-methylpropyl)imidazolidin-4-one?
The IUPAC name of 3-(1-methoxybutan-2-yl)-5-(2-methylpropyl)imidazolidin-4-one (CID 83258633) is 3-(1-methoxybutan-2-yl)-5-(2-methylpropyl)imidazolidin-4-one.
What is the SMILES notation for 3-(1-methoxybutan-2-yl)-5-(2-methylpropyl)imidazolidin-4-one?
The canonical SMILES for 3-(1-methoxybutan-2-yl)-5-(2-methylpropyl)imidazolidin-4-one is CCC(COC)N1CNC(CC(C)C)C1=O.
What is the InChIKey of 3-(1-methoxybutan-2-yl)-5-(2-methylpropyl)imidazolidin-4-one?
The InChIKey is QRPWJCHKZZIVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-5-10(7-16-4)14-8-13-11(12(14)15)6-9(2)3/h9-11,13H,5-8H2,1-4H3.
What are the key properties of 3-(1-methoxybutan-2-yl)-5-(2-methylpropyl)imidazolidin-4-one?
3-(1-methoxybutan-2-yl)-5-(2-methylpropyl)imidazolidin-4-one has a molecular weight of 228.34 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxybutan-2-yl)-5-(2-methylpropyl)imidazolidin-4-one is sourced from PubChem (CID 83258633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).