2-(1-benzofuran-3-ylmethoxy)-N',N'-dimethylacetohydrazide

C13H16N2O3 — CID 116847923

IUPAC2-(1-benzofuran-3-ylmethoxy)-N',N'-dimethylacetohydrazide
SMILESCN(C)NC(=O)COCc1coc2ccccc12
InChIInChI=1S/C13H16N2O3/c1-15(2)14-13(16)9-17-7-10-8-18-12-6-4-3-5-11(10)12/h3-6,8H,7,9H2,1-2H3,(H,14,16)
InChIKeyJYQYJFKBBPBWKO-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.54
Rot. Bonds5

About 2-(1-benzofuran-3-ylmethoxy)-N',N'-dimethylacetohydrazide

2-(1-benzofuran-3-ylmethoxy)-N',N'-dimethylacetohydrazide (PubChem CID 116847923) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-(1-benzofuran-3-ylmethoxy)-N',N'-dimethylacetohydrazide.

Molecular Properties

Compound Name2-(1-benzofuran-3-ylmethoxy)-N',N'-dimethylacetohydrazide
PubChem CID116847923
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-(1-benzofuran-3-ylmethoxy)-N',N'-dimethylacetohydrazide
SMILESCN(C)NC(=O)COCc1coc2ccccc12
InChIInChI=1S/C13H16N2O3/c1-15(2)14-13(16)9-17-7-10-8-18-12-6-4-3-5-11(10)12/h3-6,8H,7,9H2,1-2H3,(H,14,16)
InChIKeyJYQYJFKBBPBWKO-UHFFFAOYSA-N
XLogP1.54
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(1-benzofuran-3-ylmethoxy)-N',N'-dimethylacetohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N',N'-dimethyl-1-benzofuran-3-carbohydrazide
CID 116848024
methyl 2-(1-benzofuran-3-ylmethylamino)-2-methylpropanoate
CID 80700686
methyl 2-[1-benzofuran-3-ylmethyl(methyl)amino]-2-methylpropanoate
CID 115128507
N-(1-benzofuran-3-ylmethyl)-2-(ethylamino)-N-methylacetamide
CID 115157997
N',N'-dimethyl-2-[(4-methylphenyl)methoxy]acetohydrazide
CID 116847839
2-(1-benzofuran-3-yl)-N-methyl-N-phenylacetamide
CID 110856943
N-(1-benzofuran-3-ylmethyl)-4-oxopentanamide
CID 115176895
methyl 2-[[2-(1-benzofuran-3-yl)acetyl]amino]propanoate
CID 110485821
1-(1-benzofuran-3-yl)-3-methylbutan-2-one
CID 164836556
acetyl 2-(1-benzofuran-3-yl)acetate
CID 175154988
2-(1-benzofuran-3-yl)-N',N',2-trimethylpropanehydrazide
CID 116848268
1-[2-(1-benzofuran-3-yl)ethyl]-1-methylurea
CID 115168716

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-3-ylmethoxy)-N',N'-dimethylacetohydrazide?
The IUPAC name of 2-(1-benzofuran-3-ylmethoxy)-N',N'-dimethylacetohydrazide (CID 116847923) is 2-(1-benzofuran-3-ylmethoxy)-N',N'-dimethylacetohydrazide.
What is the SMILES notation for 2-(1-benzofuran-3-ylmethoxy)-N',N'-dimethylacetohydrazide?
The canonical SMILES for 2-(1-benzofuran-3-ylmethoxy)-N',N'-dimethylacetohydrazide is CN(C)NC(=O)COCc1coc2ccccc12.
What is the InChIKey of 2-(1-benzofuran-3-ylmethoxy)-N',N'-dimethylacetohydrazide?
The InChIKey is JYQYJFKBBPBWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-15(2)14-13(16)9-17-7-10-8-18-12-6-4-3-5-11(10)12/h3-6,8H,7,9H2,1-2H3,(H,14,16).
What are the key properties of 2-(1-benzofuran-3-ylmethoxy)-N',N'-dimethylacetohydrazide?
2-(1-benzofuran-3-ylmethoxy)-N',N'-dimethylacetohydrazide has a molecular weight of 248.28 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-3-ylmethoxy)-N',N'-dimethylacetohydrazide is sourced from PubChem (CID 116847923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).