2-(2-methylpropylamino)-1-benzofuran-3-carboxamide

C13H16N2O2 — CID 174950344

IUPAC2-(2-methylpropylamino)-1-benzofuran-3-carboxamide
SMILESCC(C)CNc1oc2ccccc2c1C(N)=O
InChIInChI=1S/C13H16N2O2/c1-8(2)7-15-13-11(12(14)16)9-5-3-4-6-10(9)17-13/h3-6,8,15H,7H2,1-2H3,(H2,14,16)
InChIKeyWFKPUVOELNQUNV-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.60
Rot. Bonds4

About 2-(2-methylpropylamino)-1-benzofuran-3-carboxamide

2-(2-methylpropylamino)-1-benzofuran-3-carboxamide (PubChem CID 174950344) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(2-methylpropylamino)-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-(2-methylpropylamino)-1-benzofuran-3-carboxamide
PubChem CID174950344
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-(2-methylpropylamino)-1-benzofuran-3-carboxamide
SMILESCC(C)CNc1oc2ccccc2c1C(N)=O
InChIInChI=1S/C13H16N2O2/c1-8(2)7-15-13-11(12(14)16)9-5-3-4-6-10(9)17-13/h3-6,8,15H,7H2,1-2H3,(H2,14,16)
InChIKeyWFKPUVOELNQUNV-UHFFFAOYSA-N
XLogP2.60
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(carbamoylamino)-1-benzofuran-3-carboxylate
CID 122490038
2-[(2,3,3-trimethylbutylamino)methyl]-1-benzofuran-3-carboxylic acid
CID 103262302
2-[(2,3-dimethylbutylamino)methyl]-1-benzofuran-3-carboxylic acid
CID 103254414
2-[[(1-methoxy-1-oxopropan-2-yl)amino]methyl]-1-benzofuran-3-carboxylic acid
CID 103245339
2-(2-ethyl-5-hydroxyphenyl)-1-benzofuran-3-carboxamide
CID 174959958
1-(2-ethyl-1-benzofuran-3-yl)-3-methylbutan-1-one
CID 62957846
2-[4-(chloromethyl)phenyl]-N-(2-methylpropyl)-1-benzofuran-3-carboxamide
CID 141421775
2-[[methyl(2-methylpropyl)amino]methyl]-1-benzofuran-3-carbohydrazide
CID 63574025
N-(5-methylhexan-2-yl)-4-oxochromene-2-carboxamide
CID 78788697
2-(propan-2-ylsulfanylmethyl)-1-benzofuran-3-carbohydrazide
CID 55214865
2-oxo-3-phenylchromene-4-carboxamide
CID 168655029
2-[(2-methylsulfinylpropylamino)methyl]-1-benzofuran-3-carboxylic acid
CID 103265730

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylamino)-1-benzofuran-3-carboxamide?
The IUPAC name of 2-(2-methylpropylamino)-1-benzofuran-3-carboxamide (CID 174950344) is 2-(2-methylpropylamino)-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-(2-methylpropylamino)-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-(2-methylpropylamino)-1-benzofuran-3-carboxamide is CC(C)CNc1oc2ccccc2c1C(N)=O.
What is the InChIKey of 2-(2-methylpropylamino)-1-benzofuran-3-carboxamide?
The InChIKey is WFKPUVOELNQUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-8(2)7-15-13-11(12(14)16)9-5-3-4-6-10(9)17-13/h3-6,8,15H,7H2,1-2H3,(H2,14,16).
What are the key properties of 2-(2-methylpropylamino)-1-benzofuran-3-carboxamide?
2-(2-methylpropylamino)-1-benzofuran-3-carboxamide has a molecular weight of 232.28 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylamino)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 174950344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).