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

C14H17NO2 — CID 40623926

IUPACN-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide
SMILESCCC(C)(C)NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C14H17NO2/c1-4-14(2,3)15-13(16)12-9-10-7-5-6-8-11(10)17-12/h5-9H,4H2,1-3H3,(H,15,16)
InChIKeyQIUSODBUOCUTMX-UHFFFAOYSA-N
MW231.30 g/mol
LogP3.35
Rot. Bonds3

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

N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide (PubChem CID 40623926) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide
PubChem CID40623926
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC NameN-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide
SMILESCCC(C)(C)NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C14H17NO2/c1-4-14(2,3)15-13(16)12-9-10-7-5-6-8-11(10)17-12/h5-9H,4H2,1-3H3,(H,15,16)
InChIKeyQIUSODBUOCUTMX-UHFFFAOYSA-N
XLogP3.35
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-hydroxy-2-methylbutan-2-yl)-1-benzofuran-2-carboxamide
CID 115869996
N-tert-butyl-1-benzofuran-2-carboxamide
CID 737735
5-amino-N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide
CID 61092001
2-(1-benzofuran-2-carbonylamino)-2-methylpropanoic acid
CID 61262055
N-(1-amino-2,3-dimethylbutan-2-yl)-1-benzofuran-2-carboxamide
CID 81485679
1-(1-benzofuran-2-yl)-2,2-dimethylpropan-1-one
CID 13148492
1-(1-benzofuran-2-yl)-3,3-dimethylbutan-1-one
CID 114725277
N-prop-2-ynyl-1-benzofuran-2-carboxamide
CID 60646228
N-(4-bromo-2,2-dimethylbutyl)-1-benzofuran-2-carboxamide
CID 106143875
1-(1-benzofuran-2-yl)pentane-1,3-dione
CID 28896262
N-(2-chloropropyl)-1-benzofuran-2-carboxamide
CID 114296217
N-(2-methoxy-2-phenylbutyl)-1-benzofuran-2-carboxamide
CID 90599483

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide (CID 40623926) is N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide is CCC(C)(C)NC(=O)c1cc2ccccc2o1.
What is the InChIKey of N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide?
The InChIKey is QIUSODBUOCUTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-4-14(2,3)15-13(16)12-9-10-7-5-6-8-11(10)17-12/h5-9H,4H2,1-3H3,(H,15,16).
What are the key properties of N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide?
N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide has a molecular weight of 231.30 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 40623926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).