N-(4-hydroxy-2-methylbutan-2-yl)-1-benzofuran-2-carboxamide

C14H17NO3 — CID 115869996

IUPACN-(4-hydroxy-2-methylbutan-2-yl)-1-benzofuran-2-carboxamide
SMILESCC(C)(CCO)NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C14H17NO3/c1-14(2,7-8-16)15-13(17)12-9-10-5-3-4-6-11(10)18-12/h3-6,9,16H,7-8H2,1-2H3,(H,15,17)
InChIKeyZESLVKJIRCGRTK-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.32
Rot. Bonds4

About N-(4-hydroxy-2-methylbutan-2-yl)-1-benzofuran-2-carboxamide

N-(4-hydroxy-2-methylbutan-2-yl)-1-benzofuran-2-carboxamide (PubChem CID 115869996) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylbutan-2-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylbutan-2-yl)-1-benzofuran-2-carboxamide
PubChem CID115869996
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC NameN-(4-hydroxy-2-methylbutan-2-yl)-1-benzofuran-2-carboxamide
SMILESCC(C)(CCO)NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C14H17NO3/c1-14(2,7-8-16)15-13(17)12-9-10-5-3-4-6-11(10)18-12/h3-6,9,16H,7-8H2,1-2H3,(H,15,17)
InChIKeyZESLVKJIRCGRTK-UHFFFAOYSA-N
XLogP2.32
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide
CID 40623926
N-tert-butyl-1-benzofuran-2-carboxamide
CID 737735
2-(1-benzofuran-2-carbonylamino)-2-methylpropanoic acid
CID 61262055
N-(1-amino-2,3-dimethylbutan-2-yl)-1-benzofuran-2-carboxamide
CID 81485679
5-amino-N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide
CID 61092001
N-(4-bromo-2,2-dimethylbutyl)-1-benzofuran-2-carboxamide
CID 106143875
methyl 2-(1-benzofuran-2-carbonylamino)-3-hydroxypropanoate
CID 43405796
4-methyl-4-[(5-methyl-1-benzofuran-2-carbonyl)amino]pentanoic acid
CID 62043103
1-(1-benzofuran-2-yl)-2,2-dimethylpropan-1-one
CID 13148492
N-(1-hydroxy-4-methylpentan-3-yl)-1-benzofuran-2-carboxamide
CID 103751093
1-(1-benzofuran-2-yl)-3,3-dimethylbutan-1-one
CID 114725277
methyl 2-(1-benzofuran-2-carbonylamino)propanoate
CID 19167935

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylbutan-2-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-hydroxy-2-methylbutan-2-yl)-1-benzofuran-2-carboxamide (CID 115869996) is N-(4-hydroxy-2-methylbutan-2-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2-methylbutan-2-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-hydroxy-2-methylbutan-2-yl)-1-benzofuran-2-carboxamide is CC(C)(CCO)NC(=O)c1cc2ccccc2o1.
What is the InChIKey of N-(4-hydroxy-2-methylbutan-2-yl)-1-benzofuran-2-carboxamide?
The InChIKey is ZESLVKJIRCGRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-14(2,7-8-16)15-13(17)12-9-10-5-3-4-6-11(10)18-12/h3-6,9,16H,7-8H2,1-2H3,(H,15,17).
What are the key properties of N-(4-hydroxy-2-methylbutan-2-yl)-1-benzofuran-2-carboxamide?
N-(4-hydroxy-2-methylbutan-2-yl)-1-benzofuran-2-carboxamide has a molecular weight of 247.29 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylbutan-2-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 115869996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).