4-ethyl-6-(2-methoxyethoxy)-1,3-benzoxazin-2-one

C13H15NO4 — CID 71154500

IUPAC4-ethyl-6-(2-methoxyethoxy)-1,3-benzoxazin-2-one
SMILESCCc1nc(=O)oc2ccc(OCCOC)cc12
InChIInChI=1S/C13H15NO4/c1-3-11-10-8-9(17-7-6-16-2)4-5-12(10)18-13(15)14-11/h4-5,8H,3,6-7H2,1-2H3
InChIKeyLRILNXYIZLFRFN-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.78
Rot. Bonds5

About 4-ethyl-6-(2-methoxyethoxy)-1,3-benzoxazin-2-one

4-ethyl-6-(2-methoxyethoxy)-1,3-benzoxazin-2-one (PubChem CID 71154500) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 4-ethyl-6-(2-methoxyethoxy)-1,3-benzoxazin-2-one.

Molecular Properties

Compound Name4-ethyl-6-(2-methoxyethoxy)-1,3-benzoxazin-2-one
PubChem CID71154500
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name4-ethyl-6-(2-methoxyethoxy)-1,3-benzoxazin-2-one
SMILESCCc1nc(=O)oc2ccc(OCCOC)cc12
InChIInChI=1S/C13H15NO4/c1-3-11-10-8-9(17-7-6-16-2)4-5-12(10)18-13(15)14-11/h4-5,8H,3,6-7H2,1-2H3
InChIKeyLRILNXYIZLFRFN-UHFFFAOYSA-N
XLogP1.78
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-(2-methoxyethoxy)-1,3-benzoxazin-2-one?
The IUPAC name of 4-ethyl-6-(2-methoxyethoxy)-1,3-benzoxazin-2-one (CID 71154500) is 4-ethyl-6-(2-methoxyethoxy)-1,3-benzoxazin-2-one.
What is the SMILES notation for 4-ethyl-6-(2-methoxyethoxy)-1,3-benzoxazin-2-one?
The canonical SMILES for 4-ethyl-6-(2-methoxyethoxy)-1,3-benzoxazin-2-one is CCc1nc(=O)oc2ccc(OCCOC)cc12.
What is the InChIKey of 4-ethyl-6-(2-methoxyethoxy)-1,3-benzoxazin-2-one?
The InChIKey is LRILNXYIZLFRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-3-11-10-8-9(17-7-6-16-2)4-5-12(10)18-13(15)14-11/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of 4-ethyl-6-(2-methoxyethoxy)-1,3-benzoxazin-2-one?
4-ethyl-6-(2-methoxyethoxy)-1,3-benzoxazin-2-one has a molecular weight of 249.27 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-(2-methoxyethoxy)-1,3-benzoxazin-2-one is sourced from PubChem (CID 71154500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).