N-(4-hydroxy-2-methylbutyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide

C16H21NO3 — CID 66107127

IUPACN-(4-hydroxy-2-methylbutyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
SMILESCc1ccc2c(CC(=O)NCC(C)CCO)coc2c1
InChIInChI=1S/C16H21NO3/c1-11-3-4-14-13(10-20-15(14)7-11)8-16(19)17-9-12(2)5-6-18/h3-4,7,10,12,18H,5-6,8-9H2,1-2H3,(H,17,19)
InChIKeyCGYSYJIBZYBFQF-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.42
Rot. Bonds6

About N-(4-hydroxy-2-methylbutyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide

N-(4-hydroxy-2-methylbutyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide (PubChem CID 66107127) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylbutyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylbutyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
PubChem CID66107127
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-(4-hydroxy-2-methylbutyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
SMILESCc1ccc2c(CC(=O)NCC(C)CCO)coc2c1
InChIInChI=1S/C16H21NO3/c1-11-3-4-14-13(10-20-15(14)7-11)8-16(19)17-9-12(2)5-6-18/h3-4,7,10,12,18H,5-6,8-9H2,1-2H3,(H,17,19)
InChIKeyCGYSYJIBZYBFQF-UHFFFAOYSA-N
XLogP2.42
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylbutyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-(4-hydroxy-2-methylbutyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide (CID 66107127) is N-(4-hydroxy-2-methylbutyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-(4-hydroxy-2-methylbutyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-(4-hydroxy-2-methylbutyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide is Cc1ccc2c(CC(=O)NCC(C)CCO)coc2c1.
What is the InChIKey of N-(4-hydroxy-2-methylbutyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The InChIKey is CGYSYJIBZYBFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-11-3-4-14-13(10-20-15(14)7-11)8-16(19)17-9-12(2)5-6-18/h3-4,7,10,12,18H,5-6,8-9H2,1-2H3,(H,17,19).
What are the key properties of N-(4-hydroxy-2-methylbutyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide?
N-(4-hydroxy-2-methylbutyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide has a molecular weight of 275.35 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylbutyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 66107127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).