N-(3-methyl-1-benzofuran-5-yl)acetamide

C11H11NO2 — CID 20824647

IUPACN-(3-methyl-1-benzofuran-5-yl)acetamide
SMILESCC(=O)Nc1ccc2occ(C)c2c1
InChIInChI=1S/C11H11NO2/c1-7-6-14-11-4-3-9(5-10(7)11)12-8(2)13/h3-6H,1-2H3,(H,12,13)
InChIKeyINHWSEGNYQDZRU-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.70
Rot. Bonds1

About N-(3-methyl-1-benzofuran-5-yl)acetamide

N-(3-methyl-1-benzofuran-5-yl)acetamide (PubChem CID 20824647) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is N-(3-methyl-1-benzofuran-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-methyl-1-benzofuran-5-yl)acetamide
PubChem CID20824647
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC NameN-(3-methyl-1-benzofuran-5-yl)acetamide
SMILESCC(=O)Nc1ccc2occ(C)c2c1
InChIInChI=1S/C11H11NO2/c1-7-6-14-11-4-3-9(5-10(7)11)12-8(2)13/h3-6H,1-2H3,(H,12,13)
InChIKeyINHWSEGNYQDZRU-UHFFFAOYSA-N
XLogP2.70
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1-benzofuran-5-yl)acetamide?
The IUPAC name of N-(3-methyl-1-benzofuran-5-yl)acetamide (CID 20824647) is N-(3-methyl-1-benzofuran-5-yl)acetamide.
What is the SMILES notation for N-(3-methyl-1-benzofuran-5-yl)acetamide?
The canonical SMILES for N-(3-methyl-1-benzofuran-5-yl)acetamide is CC(=O)Nc1ccc2occ(C)c2c1.
What is the InChIKey of N-(3-methyl-1-benzofuran-5-yl)acetamide?
The InChIKey is INHWSEGNYQDZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-7-6-14-11-4-3-9(5-10(7)11)12-8(2)13/h3-6H,1-2H3,(H,12,13).
What are the key properties of N-(3-methyl-1-benzofuran-5-yl)acetamide?
N-(3-methyl-1-benzofuran-5-yl)acetamide has a molecular weight of 189.21 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1-benzofuran-5-yl)acetamide is sourced from PubChem (CID 20824647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).