N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)acetamide

C15H21NO2 — CID 10776887

IUPACN-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)acetamide
SMILESCC(=O)Nc1c(C)c(C)c2c(c1C)CC(C)(C)O2
InChIInChI=1S/C15H21NO2/c1-8-9(2)14-12(7-15(5,6)18-14)10(3)13(8)16-11(4)17/h7H2,1-6H3,(H,16,17)
InChIKeyMOJUJYPUGGWUMY-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.28
Rot. Bonds1

About N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)acetamide

N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)acetamide (PubChem CID 10776887) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)acetamide.

Molecular Properties

Compound NameN-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)acetamide
PubChem CID10776887
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)acetamide
SMILESCC(=O)Nc1c(C)c(C)c2c(c1C)CC(C)(C)O2
InChIInChI=1S/C15H21NO2/c1-8-9(2)14-12(7-15(5,6)18-14)10(3)13(8)16-11(4)17/h7H2,1-6H3,(H,16,17)
InChIKeyMOJUJYPUGGWUMY-UHFFFAOYSA-N
XLogP3.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)acetamide?
The IUPAC name of N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)acetamide (CID 10776887) is N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)acetamide.
What is the SMILES notation for N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)acetamide?
The canonical SMILES for N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)acetamide is CC(=O)Nc1c(C)c(C)c2c(c1C)CC(C)(C)O2.
What is the InChIKey of N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)acetamide?
The InChIKey is MOJUJYPUGGWUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-8-9(2)14-12(7-15(5,6)18-14)10(3)13(8)16-11(4)17/h7H2,1-6H3,(H,16,17).
What are the key properties of N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)acetamide?
N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)acetamide has a molecular weight of 247.34 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)acetamide is sourced from PubChem (CID 10776887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).