2-(ethoxymethyl)-1-benzofuran-3-carbohydrazide

C12H14N2O3 — CID 55213785

IUPAC2-(ethoxymethyl)-1-benzofuran-3-carbohydrazide
SMILESCCOCc1oc2ccccc2c1C(=O)NN
InChIInChI=1S/C12H14N2O3/c1-2-16-7-10-11(12(15)14-13)8-5-3-4-6-9(8)17-10/h3-6H,2,7,13H2,1H3,(H,14,15)
InChIKeyKUQWJVRBCAGHBN-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.57
Rot. Bonds4

About 2-(ethoxymethyl)-1-benzofuran-3-carbohydrazide

2-(ethoxymethyl)-1-benzofuran-3-carbohydrazide (PubChem CID 55213785) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-(ethoxymethyl)-1-benzofuran-3-carbohydrazide.

Molecular Properties

Compound Name2-(ethoxymethyl)-1-benzofuran-3-carbohydrazide
PubChem CID55213785
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-(ethoxymethyl)-1-benzofuran-3-carbohydrazide
SMILESCCOCc1oc2ccccc2c1C(=O)NN
InChIInChI=1S/C12H14N2O3/c1-2-16-7-10-11(12(15)14-13)8-5-3-4-6-9(8)17-10/h3-6H,2,7,13H2,1H3,(H,14,15)
InChIKeyKUQWJVRBCAGHBN-UHFFFAOYSA-N
XLogP1.57
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(cyclobutyloxymethyl)-1-benzofuran-3-carbohydrazide
CID 63569299
2-(oxolan-2-ylmethoxymethyl)-1-benzofuran-3-carbohydrazide
CID 63575257
2-[(dipropylamino)methyl]-1-benzofuran-3-carbohydrazide
CID 63569026
2-(propan-2-ylsulfanylmethyl)-1-benzofuran-3-carbohydrazide
CID 55214865
2-[[ethyl(propan-2-yl)amino]methyl]-1-benzofuran-3-carbohydrazide
CID 63571943
2-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzofuran-3-carbohydrazide
CID 116793806
2-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-benzofuran-3-carbohydrazide
CID 63726386
2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1-benzofuran-3-carbohydrazide
CID 63572591
2-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-carbohydrazide
CID 55212248
2-(piperidin-1-ylmethyl)-1-benzofuran-3-carbohydrazide
CID 63569906
2-(2-propoxyethoxymethyl)-1-benzofuran-3-carboxylic acid
CID 63686877
2-(3-hydroxybutan-2-ylsulfanylmethyl)-1-benzofuran-3-carbohydrazide
CID 107772111

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-1-benzofuran-3-carbohydrazide?
The IUPAC name of 2-(ethoxymethyl)-1-benzofuran-3-carbohydrazide (CID 55213785) is 2-(ethoxymethyl)-1-benzofuran-3-carbohydrazide.
What is the SMILES notation for 2-(ethoxymethyl)-1-benzofuran-3-carbohydrazide?
The canonical SMILES for 2-(ethoxymethyl)-1-benzofuran-3-carbohydrazide is CCOCc1oc2ccccc2c1C(=O)NN.
What is the InChIKey of 2-(ethoxymethyl)-1-benzofuran-3-carbohydrazide?
The InChIKey is KUQWJVRBCAGHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-2-16-7-10-11(12(15)14-13)8-5-3-4-6-9(8)17-10/h3-6H,2,7,13H2,1H3,(H,14,15).
What are the key properties of 2-(ethoxymethyl)-1-benzofuran-3-carbohydrazide?
2-(ethoxymethyl)-1-benzofuran-3-carbohydrazide has a molecular weight of 234.25 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-1-benzofuran-3-carbohydrazide is sourced from PubChem (CID 55213785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).