3-[(2-ethyl-1-benzofuran-3-yl)oxy]-N'-hydroxypropanimidamide

C13H16N2O3 — CID 54396511

IUPAC3-[(2-ethyl-1-benzofuran-3-yl)oxy]-N'-hydroxypropanimidamide
SMILESCCc1oc2ccccc2c1OCCC(N)=NO
InChIInChI=1S/C13H16N2O3/c1-2-10-13(17-8-7-12(14)15-16)9-5-3-4-6-11(9)18-10/h3-6,16H,2,7-8H2,1H3,(H2,14,15)
InChIKeyVKIRZIUFYSBPLX-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.51
Rot. Bonds5

About 3-[(2-ethyl-1-benzofuran-3-yl)oxy]-N'-hydroxypropanimidamide

3-[(2-ethyl-1-benzofuran-3-yl)oxy]-N'-hydroxypropanimidamide (PubChem CID 54396511) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-[(2-ethyl-1-benzofuran-3-yl)oxy]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[(2-ethyl-1-benzofuran-3-yl)oxy]-N'-hydroxypropanimidamide
PubChem CID54396511
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name3-[(2-ethyl-1-benzofuran-3-yl)oxy]-N'-hydroxypropanimidamide
SMILESCCc1oc2ccccc2c1OCCC(N)=NO
InChIInChI=1S/C13H16N2O3/c1-2-10-13(17-8-7-12(14)15-16)9-5-3-4-6-11(9)18-10/h3-6,16H,2,7-8H2,1H3,(H2,14,15)
InChIKeyVKIRZIUFYSBPLX-UHFFFAOYSA-N
XLogP2.51
TPSA80.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethyl-1-benzofuran-3-yl)oxy]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[(2-ethyl-1-benzofuran-3-yl)oxy]-N'-hydroxypropanimidamide (CID 54396511) is 3-[(2-ethyl-1-benzofuran-3-yl)oxy]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[(2-ethyl-1-benzofuran-3-yl)oxy]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[(2-ethyl-1-benzofuran-3-yl)oxy]-N'-hydroxypropanimidamide is CCc1oc2ccccc2c1OCCC(N)=NO.
What is the InChIKey of 3-[(2-ethyl-1-benzofuran-3-yl)oxy]-N'-hydroxypropanimidamide?
The InChIKey is VKIRZIUFYSBPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-2-10-13(17-8-7-12(14)15-16)9-5-3-4-6-11(9)18-10/h3-6,16H,2,7-8H2,1H3,(H2,14,15).
What are the key properties of 3-[(2-ethyl-1-benzofuran-3-yl)oxy]-N'-hydroxypropanimidamide?
3-[(2-ethyl-1-benzofuran-3-yl)oxy]-N'-hydroxypropanimidamide has a molecular weight of 248.28 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyl-1-benzofuran-3-yl)oxy]-N'-hydroxypropanimidamide is sourced from PubChem (CID 54396511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).