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

C16H24N2O2 — CID 10540431

IUPACN-[4-(dimethylamino)-2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl]acetamide
SMILESCC(=O)Nc1c(C)c(C)c2c(c1N(C)C)CC(C)(C)O2
InChIInChI=1S/C16H24N2O2/c1-9-10(2)15-12(8-16(4,5)20-15)14(18(6)7)13(9)17-11(3)19/h8H2,1-7H3,(H,17,19)
InChIKeyYLWLPJBXNOZFOD-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.04
Rot. Bonds2

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

N-[4-(dimethylamino)-2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl]acetamide (PubChem CID 10540431) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl]acetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl]acetamide
PubChem CID10540431
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[4-(dimethylamino)-2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl]acetamide
SMILESCC(=O)Nc1c(C)c(C)c2c(c1N(C)C)CC(C)(C)O2
InChIInChI=1S/C16H24N2O2/c1-9-10(2)15-12(8-16(4,5)20-15)14(18(6)7)13(9)17-11(3)19/h8H2,1-7H3,(H,17,19)
InChIKeyYLWLPJBXNOZFOD-UHFFFAOYSA-N
XLogP3.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl]acetamide?
The IUPAC name of N-[4-(dimethylamino)-2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl]acetamide (CID 10540431) is N-[4-(dimethylamino)-2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl]acetamide.
What is the SMILES notation for N-[4-(dimethylamino)-2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl]acetamide?
The canonical SMILES for N-[4-(dimethylamino)-2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl]acetamide is CC(=O)Nc1c(C)c(C)c2c(c1N(C)C)CC(C)(C)O2.
What is the InChIKey of N-[4-(dimethylamino)-2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl]acetamide?
The InChIKey is YLWLPJBXNOZFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-9-10(2)15-12(8-16(4,5)20-15)14(18(6)7)13(9)17-11(3)19/h8H2,1-7H3,(H,17,19).
What are the key properties of N-[4-(dimethylamino)-2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl]acetamide?
N-[4-(dimethylamino)-2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl]acetamide has a molecular weight of 276.38 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl]acetamide is sourced from PubChem (CID 10540431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).