2-(4,6-dimethyl-1-benzofuran-3-yl)-N',N'-dimethylacetohydrazide

C14H18N2O2 — CID 1248581

IUPAC2-(4,6-dimethyl-1-benzofuran-3-yl)-N',N'-dimethylacetohydrazide
SMILESCc1cc(C)c2c(CC(=O)NN(C)C)coc2c1
InChIInChI=1S/C14H18N2O2/c1-9-5-10(2)14-11(8-18-12(14)6-9)7-13(17)15-16(3)4/h5-6,8H,7H2,1-4H3,(H,15,17)
InChIKeyYWYQMRUISTXELD-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.18
Rot. Bonds3

About 2-(4,6-dimethyl-1-benzofuran-3-yl)-N',N'-dimethylacetohydrazide

2-(4,6-dimethyl-1-benzofuran-3-yl)-N',N'-dimethylacetohydrazide (PubChem CID 1248581) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(4,6-dimethyl-1-benzofuran-3-yl)-N',N'-dimethylacetohydrazide.

Molecular Properties

Compound Name2-(4,6-dimethyl-1-benzofuran-3-yl)-N',N'-dimethylacetohydrazide
PubChem CID1248581
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-(4,6-dimethyl-1-benzofuran-3-yl)-N',N'-dimethylacetohydrazide
SMILESCc1cc(C)c2c(CC(=O)NN(C)C)coc2c1
InChIInChI=1S/C14H18N2O2/c1-9-5-10(2)14-11(8-18-12(14)6-9)7-13(17)15-16(3)4/h5-6,8H,7H2,1-4H3,(H,15,17)
InChIKeyYWYQMRUISTXELD-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4,6-dimethylbenzo[b]furan-3-yl)-N-(methylethyl)acetamide
CID 1285215
N'-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 2982934
N'-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 18079669
N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 2576871
N-benzyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 8087327
2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(2-phenylethyl)acetamide
CID 1285219
1-[(4,6-Dimethyl-1-benzofuran-3-yl)acetyl]pyrrolidine
CID 2979244
N'-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]-2-fluorobenzohydrazide
CID 16391190
1-[(4,6-Dimethyl-1-benzofuran-3-yl)acetyl]-4-ethylpiperazine
CID 2243457
2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(4-methylbenzyl)acetamide
CID 16012862
N-[2-(ethylamino)-2-oxoethyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 18110256
N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2-methyl-1-benzofuran-4-carbohydrazide
CID 50940760

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-1-benzofuran-3-yl)-N',N'-dimethylacetohydrazide?
The IUPAC name of 2-(4,6-dimethyl-1-benzofuran-3-yl)-N',N'-dimethylacetohydrazide (CID 1248581) is 2-(4,6-dimethyl-1-benzofuran-3-yl)-N',N'-dimethylacetohydrazide.
What is the SMILES notation for 2-(4,6-dimethyl-1-benzofuran-3-yl)-N',N'-dimethylacetohydrazide?
The canonical SMILES for 2-(4,6-dimethyl-1-benzofuran-3-yl)-N',N'-dimethylacetohydrazide is Cc1cc(C)c2c(CC(=O)NN(C)C)coc2c1.
What is the InChIKey of 2-(4,6-dimethyl-1-benzofuran-3-yl)-N',N'-dimethylacetohydrazide?
The InChIKey is YWYQMRUISTXELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9-5-10(2)14-11(8-18-12(14)6-9)7-13(17)15-16(3)4/h5-6,8H,7H2,1-4H3,(H,15,17).
What are the key properties of 2-(4,6-dimethyl-1-benzofuran-3-yl)-N',N'-dimethylacetohydrazide?
2-(4,6-dimethyl-1-benzofuran-3-yl)-N',N'-dimethylacetohydrazide has a molecular weight of 246.31 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-1-benzofuran-3-yl)-N',N'-dimethylacetohydrazide is sourced from PubChem (CID 1248581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).