N'-acetyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetohydrazide

C14H16N2O3 — CID 17435910

IUPACN'-acetyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetohydrazide
SMILESCC(=O)NNC(=O)Cc1coc2c(C)c(C)ccc12
InChIInChI=1S/C14H16N2O3/c1-8-4-5-12-11(7-19-14(12)9(8)2)6-13(18)16-15-10(3)17/h4-5,7H,6H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyDIWHJSQSMWTOAJ-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.76
Rot. Bonds2

About N'-acetyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetohydrazide

N'-acetyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetohydrazide (PubChem CID 17435910) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N'-acetyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetohydrazide.

Molecular Properties

Compound NameN'-acetyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetohydrazide
PubChem CID17435910
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN'-acetyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetohydrazide
SMILESCC(=O)NNC(=O)Cc1coc2c(C)c(C)ccc12
InChIInChI=1S/C14H16N2O3/c1-8-4-5-12-11(7-19-14(12)9(8)2)6-13(18)16-15-10(3)17/h4-5,7H,6H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyDIWHJSQSMWTOAJ-UHFFFAOYSA-N
XLogP1.76
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.76
H-Bond Donors ≤ 52
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-(6,7-dimethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide
CID 1285216
N-tert-butyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 8779926
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 27511094
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(4-hydroxycyclohexyl)acetamide
CID 78767344
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 9403737
N-(3-aminobutyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 119497942
methyl (2R)-2-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]propanoate
CID 40918319
3-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]-2,2-dimethylpropanoic acid
CID 119250279
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 17415366
5-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]pentanoic acid
CID 119235240
N-(2,3-dichlorophenyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 1243073
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-pyridin-2-ylacetamide
CID 23973660

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetohydrazide?
The IUPAC name of N'-acetyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetohydrazide (CID 17435910) is N'-acetyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetohydrazide.
What is the SMILES notation for N'-acetyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetohydrazide?
The canonical SMILES for N'-acetyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetohydrazide is CC(=O)NNC(=O)Cc1coc2c(C)c(C)ccc12.
What is the InChIKey of N'-acetyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetohydrazide?
The InChIKey is DIWHJSQSMWTOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-8-4-5-12-11(7-19-14(12)9(8)2)6-13(18)16-15-10(3)17/h4-5,7H,6H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of N'-acetyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetohydrazide?
N'-acetyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetohydrazide has a molecular weight of 260.29 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetohydrazide is sourced from PubChem (CID 17435910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).