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

C14H20N2O2 — CID 15229615

IUPACN-(6-amino-2,2,4,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide
SMILESCC(=O)Nc1c(C)c2c(c(C)c1N)OC(C)(C)C2
InChIInChI=1S/C14H20N2O2/c1-7-10-6-14(4,5)18-13(10)8(2)11(15)12(7)16-9(3)17/h6,15H2,1-5H3,(H,16,17)
InChIKeyWHVQXKVYKZULOA-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.56
Rot. Bonds1

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

N-(6-amino-2,2,4,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide (PubChem CID 15229615) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(6-amino-2,2,4,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide.

Molecular Properties

Compound NameN-(6-amino-2,2,4,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide
PubChem CID15229615
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(6-amino-2,2,4,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide
SMILESCC(=O)Nc1c(C)c2c(c(C)c1N)OC(C)(C)C2
InChIInChI=1S/C14H20N2O2/c1-7-10-6-14(4,5)18-13(10)8(2)11(15)12(7)16-9(3)17/h6,15H2,1-5H3,(H,16,17)
InChIKeyWHVQXKVYKZULOA-UHFFFAOYSA-N
XLogP2.56
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,2,4,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide?
The IUPAC name of N-(6-amino-2,2,4,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide (CID 15229615) is N-(6-amino-2,2,4,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide.
What is the SMILES notation for N-(6-amino-2,2,4,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide?
The canonical SMILES for N-(6-amino-2,2,4,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide is CC(=O)Nc1c(C)c2c(c(C)c1N)OC(C)(C)C2.
What is the InChIKey of N-(6-amino-2,2,4,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide?
The InChIKey is WHVQXKVYKZULOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-7-10-6-14(4,5)18-13(10)8(2)11(15)12(7)16-9(3)17/h6,15H2,1-5H3,(H,16,17).
What are the key properties of N-(6-amino-2,2,4,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide?
N-(6-amino-2,2,4,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide has a molecular weight of 248.33 g/mol, XLogP of 2.56, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,2,4,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide is sourced from PubChem (CID 15229615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).