N-(1-hydroxy-2-methylpropan-2-yl)-1-oxo-3H-2-benzofuran-5-carboxamide

C13H15NO4 — CID 11196005

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-1-oxo-3H-2-benzofuran-5-carboxamide
SMILESCC(C)(CO)NC(=O)c1ccc2c(c1)COC2=O
InChIInChI=1S/C13H15NO4/c1-13(2,7-15)14-11(16)8-3-4-10-9(5-8)6-18-12(10)17/h3-5,15H,6-7H2,1-2H3,(H,14,16)
InChIKeyHNWLPTIKBKJXOX-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.86
Rot. Bonds3

About N-(1-hydroxy-2-methylpropan-2-yl)-1-oxo-3H-2-benzofuran-5-carboxamide

N-(1-hydroxy-2-methylpropan-2-yl)-1-oxo-3H-2-benzofuran-5-carboxamide (PubChem CID 11196005) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-1-oxo-3H-2-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-1-oxo-3H-2-benzofuran-5-carboxamide
PubChem CID11196005
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-1-oxo-3H-2-benzofuran-5-carboxamide
SMILESCC(C)(CO)NC(=O)c1ccc2c(c1)COC2=O
InChIInChI=1S/C13H15NO4/c1-13(2,7-15)14-11(16)8-3-4-10-9(5-8)6-18-12(10)17/h3-5,15H,6-7H2,1-2H3,(H,14,16)
InChIKeyHNWLPTIKBKJXOX-UHFFFAOYSA-N
XLogP0.86
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-1-oxo-3H-2-benzofuran-5-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-1-oxo-3H-2-benzofuran-5-carboxamide (CID 11196005) is N-(1-hydroxy-2-methylpropan-2-yl)-1-oxo-3H-2-benzofuran-5-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-1-oxo-3H-2-benzofuran-5-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-1-oxo-3H-2-benzofuran-5-carboxamide is CC(C)(CO)NC(=O)c1ccc2c(c1)COC2=O.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-1-oxo-3H-2-benzofuran-5-carboxamide?
The InChIKey is HNWLPTIKBKJXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-13(2,7-15)14-11(16)8-3-4-10-9(5-8)6-18-12(10)17/h3-5,15H,6-7H2,1-2H3,(H,14,16).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-1-oxo-3H-2-benzofuran-5-carboxamide?
N-(1-hydroxy-2-methylpropan-2-yl)-1-oxo-3H-2-benzofuran-5-carboxamide has a molecular weight of 249.27 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-1-oxo-3H-2-benzofuran-5-carboxamide is sourced from PubChem (CID 11196005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).