N-(3-hydroxy-2-methylbutan-2-yl)-1-benzofuran-3-carboxamide

C14H17NO3 — CID 115884333

IUPACN-(3-hydroxy-2-methylbutan-2-yl)-1-benzofuran-3-carboxamide
SMILESCC(O)C(C)(C)NC(=O)c1coc2ccccc12
InChIInChI=1S/C14H17NO3/c1-9(16)14(2,3)15-13(17)11-8-18-12-7-5-4-6-10(11)12/h4-9,16H,1-3H3,(H,15,17)
InChIKeyXABRYZZPZQHDFX-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.32
Rot. Bonds3

About N-(3-hydroxy-2-methylbutan-2-yl)-1-benzofuran-3-carboxamide

N-(3-hydroxy-2-methylbutan-2-yl)-1-benzofuran-3-carboxamide (PubChem CID 115884333) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylbutan-2-yl)-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylbutan-2-yl)-1-benzofuran-3-carboxamide
PubChem CID115884333
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC NameN-(3-hydroxy-2-methylbutan-2-yl)-1-benzofuran-3-carboxamide
SMILESCC(O)C(C)(C)NC(=O)c1coc2ccccc12
InChIInChI=1S/C14H17NO3/c1-9(16)14(2,3)15-13(17)11-8-18-12-7-5-4-6-10(11)12/h4-9,16H,1-3H3,(H,15,17)
InChIKeyXABRYZZPZQHDFX-UHFFFAOYSA-N
XLogP2.32
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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

1-(1-benzofuran-3-yl)-2-hydroxypropan-1-one
CID 83697645
N-[(2R)-1-hydroxypropan-2-yl]-1-benzofuran-3-carboxamide
CID 79031060
N-[3-(chloromethyl)pentan-3-yl]-1-benzofuran-3-carboxamide
CID 113273354
N-(3-hydroxy-2-methylbutan-2-yl)-1-benzothiophene-3-carboxamide
CID 115884348
N-[(2R)-1-aminopropan-2-yl]-1-benzofuran-3-carboxamide
CID 104872934
N',N'-dimethyl-1-benzofuran-3-carbohydrazide
CID 116848024
N-(3,3,3-trifluoro-2-hydroxypropyl)-1-benzofuran-3-carboxamide
CID 103726467
(4R)-4-(1-benzofuran-3-carbonylamino)pentanoic acid
CID 95359138
N-[(2S)-2-methyl-3-(methylamino)propyl]-1-benzofuran-3-carboxamide
CID 99646947
N-(1-amino-4,4-dimethylpentan-3-yl)-1-benzofuran-3-carboxamide
CID 106357075
2-amino-1-(1-benzofuran-3-yl)-2-methylpropan-1-one
CID 116915418
3-(1-benzofuran-3-carbonylamino)-2-hydroxypropanoic acid
CID 66165805

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylbutan-2-yl)-1-benzofuran-3-carboxamide?
The IUPAC name of N-(3-hydroxy-2-methylbutan-2-yl)-1-benzofuran-3-carboxamide (CID 115884333) is N-(3-hydroxy-2-methylbutan-2-yl)-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2-methylbutan-2-yl)-1-benzofuran-3-carboxamide?
The canonical SMILES for N-(3-hydroxy-2-methylbutan-2-yl)-1-benzofuran-3-carboxamide is CC(O)C(C)(C)NC(=O)c1coc2ccccc12.
What is the InChIKey of N-(3-hydroxy-2-methylbutan-2-yl)-1-benzofuran-3-carboxamide?
The InChIKey is XABRYZZPZQHDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-9(16)14(2,3)15-13(17)11-8-18-12-7-5-4-6-10(11)12/h4-9,16H,1-3H3,(H,15,17).
What are the key properties of N-(3-hydroxy-2-methylbutan-2-yl)-1-benzofuran-3-carboxamide?
N-(3-hydroxy-2-methylbutan-2-yl)-1-benzofuran-3-carboxamide has a molecular weight of 247.29 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylbutan-2-yl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 115884333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).