2,4-dimethyloxane;1-(2-methoxyethyl)imidazolidin-2-one

C13H26N2O3 — CID 177357041

IUPAC2,4-dimethyloxane;1-(2-methoxyethyl)imidazolidin-2-one
SMILESCC1CCOC(C)C1.COCCN1CCNC1=O
InChIInChI=1S/C7H14O.C6H12N2O2/c1-6-3-4-8-7(2)5-6;1-10-5-4-8-3-2-7-6(8)9/h6-7H,3-5H2,1-2H3;2-5H2,1H3,(H,7,9)
InChIKeyZGZIALLMCGFLRV-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.48
Rot. Bonds3

About 2,4-dimethyloxane;1-(2-methoxyethyl)imidazolidin-2-one

2,4-dimethyloxane;1-(2-methoxyethyl)imidazolidin-2-one (PubChem CID 177357041) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2,4-dimethyloxane;1-(2-methoxyethyl)imidazolidin-2-one.

Molecular Properties

Compound Name2,4-dimethyloxane;1-(2-methoxyethyl)imidazolidin-2-one
PubChem CID177357041
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2,4-dimethyloxane;1-(2-methoxyethyl)imidazolidin-2-one
SMILESCC1CCOC(C)C1.COCCN1CCNC1=O
InChIInChI=1S/C7H14O.C6H12N2O2/c1-6-3-4-8-7(2)5-6;1-10-5-4-8-3-2-7-6(8)9/h6-7H,3-5H2,1-2H3;2-5H2,1H3,(H,7,9)
InChIKeyZGZIALLMCGFLRV-UHFFFAOYSA-N
XLogP1.48
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyloxane;1-(2-methoxyethyl)imidazolidin-2-one?
The IUPAC name of 2,4-dimethyloxane;1-(2-methoxyethyl)imidazolidin-2-one (CID 177357041) is 2,4-dimethyloxane;1-(2-methoxyethyl)imidazolidin-2-one.
What is the SMILES notation for 2,4-dimethyloxane;1-(2-methoxyethyl)imidazolidin-2-one?
The canonical SMILES for 2,4-dimethyloxane;1-(2-methoxyethyl)imidazolidin-2-one is CC1CCOC(C)C1.COCCN1CCNC1=O.
What is the InChIKey of 2,4-dimethyloxane;1-(2-methoxyethyl)imidazolidin-2-one?
The InChIKey is ZGZIALLMCGFLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O.C6H12N2O2/c1-6-3-4-8-7(2)5-6;1-10-5-4-8-3-2-7-6(8)9/h6-7H,3-5H2,1-2H3;2-5H2,1H3,(H,7,9).
What are the key properties of 2,4-dimethyloxane;1-(2-methoxyethyl)imidazolidin-2-one?
2,4-dimethyloxane;1-(2-methoxyethyl)imidazolidin-2-one has a molecular weight of 258.36 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyloxane;1-(2-methoxyethyl)imidazolidin-2-one is sourced from PubChem (CID 177357041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).