3-(3-methoxy-2-methylpropyl)-2-methyl-5-(2-methylpropyl)imidazolidin-4-one

C13H26N2O2 — CID 83250020

IUPAC3-(3-methoxy-2-methylpropyl)-2-methyl-5-(2-methylpropyl)imidazolidin-4-one
SMILESCOCC(C)CN1C(=O)C(CC(C)C)NC1C
InChIInChI=1S/C13H26N2O2/c1-9(2)6-12-13(16)15(11(4)14-12)7-10(3)8-17-5/h9-12,14H,6-8H2,1-5H3
InChIKeyXLUAEAWHFCLVFV-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.46
Rot. Bonds6

About 3-(3-methoxy-2-methylpropyl)-2-methyl-5-(2-methylpropyl)imidazolidin-4-one

3-(3-methoxy-2-methylpropyl)-2-methyl-5-(2-methylpropyl)imidazolidin-4-one (PubChem CID 83250020) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-(3-methoxy-2-methylpropyl)-2-methyl-5-(2-methylpropyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-(3-methoxy-2-methylpropyl)-2-methyl-5-(2-methylpropyl)imidazolidin-4-one
PubChem CID83250020
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-(3-methoxy-2-methylpropyl)-2-methyl-5-(2-methylpropyl)imidazolidin-4-one
SMILESCOCC(C)CN1C(=O)C(CC(C)C)NC1C
InChIInChI=1S/C13H26N2O2/c1-9(2)6-12-13(16)15(11(4)14-12)7-10(3)8-17-5/h9-12,14H,6-8H2,1-5H3
InChIKeyXLUAEAWHFCLVFV-UHFFFAOYSA-N
XLogP1.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-2-methylpropyl)-2-methyl-5-(2-methylpropyl)imidazolidin-4-one?
The IUPAC name of 3-(3-methoxy-2-methylpropyl)-2-methyl-5-(2-methylpropyl)imidazolidin-4-one (CID 83250020) is 3-(3-methoxy-2-methylpropyl)-2-methyl-5-(2-methylpropyl)imidazolidin-4-one.
What is the SMILES notation for 3-(3-methoxy-2-methylpropyl)-2-methyl-5-(2-methylpropyl)imidazolidin-4-one?
The canonical SMILES for 3-(3-methoxy-2-methylpropyl)-2-methyl-5-(2-methylpropyl)imidazolidin-4-one is COCC(C)CN1C(=O)C(CC(C)C)NC1C.
What is the InChIKey of 3-(3-methoxy-2-methylpropyl)-2-methyl-5-(2-methylpropyl)imidazolidin-4-one?
The InChIKey is XLUAEAWHFCLVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-9(2)6-12-13(16)15(11(4)14-12)7-10(3)8-17-5/h9-12,14H,6-8H2,1-5H3.
What are the key properties of 3-(3-methoxy-2-methylpropyl)-2-methyl-5-(2-methylpropyl)imidazolidin-4-one?
3-(3-methoxy-2-methylpropyl)-2-methyl-5-(2-methylpropyl)imidazolidin-4-one has a molecular weight of 242.36 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-2-methylpropyl)-2-methyl-5-(2-methylpropyl)imidazolidin-4-one is sourced from PubChem (CID 83250020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).