2-(1-benzofuran-3-yl)-N',N',2-trimethylpropanehydrazide

C14H18N2O2 — CID 116848268

IUPAC2-(1-benzofuran-3-yl)-N',N',2-trimethylpropanehydrazide
SMILESCN(C)NC(=O)C(C)(C)c1coc2ccccc12
InChIInChI=1S/C14H18N2O2/c1-14(2,13(17)15-16(3)4)11-9-18-12-8-6-5-7-10(11)12/h5-9H,1-4H3,(H,15,17)
InChIKeyCXPJPGDTDPQHFX-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.30
Rot. Bonds3

About 2-(1-benzofuran-3-yl)-N',N',2-trimethylpropanehydrazide

2-(1-benzofuran-3-yl)-N',N',2-trimethylpropanehydrazide (PubChem CID 116848268) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(1-benzofuran-3-yl)-N',N',2-trimethylpropanehydrazide.

Molecular Properties

Compound Name2-(1-benzofuran-3-yl)-N',N',2-trimethylpropanehydrazide
PubChem CID116848268
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-(1-benzofuran-3-yl)-N',N',2-trimethylpropanehydrazide
SMILESCN(C)NC(=O)C(C)(C)c1coc2ccccc12
InChIInChI=1S/C14H18N2O2/c1-14(2,13(17)15-16(3)4)11-9-18-12-8-6-5-7-10(11)12/h5-9H,1-4H3,(H,15,17)
InChIKeyCXPJPGDTDPQHFX-UHFFFAOYSA-N
XLogP2.30
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1-benzofuran-3-yl)-N',N',2-trimethylpropanehydrazide 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

2-(1-benzofuran-3-yl)-2-methylpropanoic acid
CID 84734012
N',N'-dimethyl-1-benzofuran-3-carbohydrazide
CID 116848024
1-[1,1-bis(1-benzofuran-3-yl)ethyl]-1-hydroxyurea
CID 57028878
[2-(1-benzofuran-3-yl)-2-methylpropyl]urea
CID 115168850
2-amino-N-[2-(1-benzofuran-3-yl)-2-methylpropyl]acetamide
CID 115151866
N-(3-hydroxy-2-methylbutan-2-yl)-1-benzofuran-3-carboxamide
CID 115884333
N-[2-(1-benzofuran-3-yl)propan-2-yl]-2-cyanoacetamide
CID 116829523
2-(1-benzofuran-3-ylmethoxy)-N',N'-dimethylacetohydrazide
CID 116847923
2-amino-1-(1-benzofuran-3-yl)-2-methylpropan-1-one
CID 116915418
1-[1,1-bis(1-benzofuran-3-yl)propyl]-1-hydroxyurea
CID 88512065
2-hydroxy-N',N'-dimethyl-2,2-diphenylacetohydrazide
CID 12885881
3-[1-benzofuran-3-yl(methyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 115164001

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-3-yl)-N',N',2-trimethylpropanehydrazide?
The IUPAC name of 2-(1-benzofuran-3-yl)-N',N',2-trimethylpropanehydrazide (CID 116848268) is 2-(1-benzofuran-3-yl)-N',N',2-trimethylpropanehydrazide.
What is the SMILES notation for 2-(1-benzofuran-3-yl)-N',N',2-trimethylpropanehydrazide?
The canonical SMILES for 2-(1-benzofuran-3-yl)-N',N',2-trimethylpropanehydrazide is CN(C)NC(=O)C(C)(C)c1coc2ccccc12.
What is the InChIKey of 2-(1-benzofuran-3-yl)-N',N',2-trimethylpropanehydrazide?
The InChIKey is CXPJPGDTDPQHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-14(2,13(17)15-16(3)4)11-9-18-12-8-6-5-7-10(11)12/h5-9H,1-4H3,(H,15,17).
What are the key properties of 2-(1-benzofuran-3-yl)-N',N',2-trimethylpropanehydrazide?
2-(1-benzofuran-3-yl)-N',N',2-trimethylpropanehydrazide has a molecular weight of 246.31 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-3-yl)-N',N',2-trimethylpropanehydrazide is sourced from PubChem (CID 116848268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).