2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide

C12H15NO3 — CID 4565165

IUPAC2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
SMILESCC1(C)Cc2cccc(OCC(N)=O)c2O1
InChIInChI=1S/C12H15NO3/c1-12(2)6-8-4-3-5-9(11(8)16-12)15-7-10(13)14/h3-5H,6-7H2,1-2H3,(H2,13,14)
InChIKeyLHCDNSJOBCISSG-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.26
Rot. Bonds3

About 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide (PubChem CID 4565165) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
PubChem CID4565165
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
SMILESCC1(C)Cc2cccc(OCC(N)=O)c2O1
InChIInChI=1S/C12H15NO3/c1-12(2)6-8-4-3-5-9(11(8)16-12)15-7-10(13)14/h3-5H,6-7H2,1-2H3,(H2,13,14)
InChIKeyLHCDNSJOBCISSG-UHFFFAOYSA-N
XLogP1.26
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide?
The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide (CID 4565165) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide.
What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide?
The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide is CC1(C)Cc2cccc(OCC(N)=O)c2O1.
What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide?
The InChIKey is LHCDNSJOBCISSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-12(2)6-8-4-3-5-9(11(8)16-12)15-7-10(13)14/h3-5H,6-7H2,1-2H3,(H2,13,14).
What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide?
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide has a molecular weight of 221.26 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide is sourced from PubChem (CID 4565165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).