N-(2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide

C14H19NO2 — CID 10489833

IUPACN-(2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide
SMILESCC(=O)Nc1cc2c(c(C)c1C)OC(C)(C)C2
InChIInChI=1S/C14H19NO2/c1-8-9(2)13-11(7-14(4,5)17-13)6-12(8)15-10(3)16/h6H,7H2,1-5H3,(H,15,16)
InChIKeyRKYJZBNMRXAFLJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.98
Rot. Bonds1

About N-(2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide

N-(2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide (PubChem CID 10489833) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide.

Molecular Properties

Compound NameN-(2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide
PubChem CID10489833
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-(2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide
SMILESCC(=O)Nc1cc2c(c(C)c1C)OC(C)(C)C2
InChIInChI=1S/C14H19NO2/c1-8-9(2)13-11(7-14(4,5)17-13)6-12(8)15-10(3)16/h6H,7H2,1-5H3,(H,15,16)
InChIKeyRKYJZBNMRXAFLJ-UHFFFAOYSA-N
XLogP2.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide?
The IUPAC name of N-(2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide (CID 10489833) is N-(2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide.
What is the SMILES notation for N-(2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide?
The canonical SMILES for N-(2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide is CC(=O)Nc1cc2c(c(C)c1C)OC(C)(C)C2.
What is the InChIKey of N-(2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide?
The InChIKey is RKYJZBNMRXAFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-8-9(2)13-11(7-14(4,5)17-13)6-12(8)15-10(3)16/h6H,7H2,1-5H3,(H,15,16).
What are the key properties of N-(2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide?
N-(2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide has a molecular weight of 233.31 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide is sourced from PubChem (CID 10489833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).