2-butyl-N-(2-methyl-4-pyrrolidin-1-ylbutan-2-yl)-1-benzofuran-3-carboxamide

C22H32N2O2 — CID 166366311

IUPAC2-butyl-N-(2-methyl-4-pyrrolidin-1-ylbutan-2-yl)-1-benzofuran-3-carboxamide
SMILESCCCCc1oc2ccccc2c1C(=O)NC(C)(C)CCN1CCCC1
InChIInChI=1S/C22H32N2O2/c1-4-5-11-19-20(17-10-6-7-12-18(17)26-19)21(25)23-22(2,3)13-16-24-14-8-9-15-24/h6-7,10,12H,4-5,8-9,11,13-16H2,1-3H3,(H,23,25)
InChIKeyXOIQCWBTZKHHKS-UHFFFAOYSA-N
MW356.51 g/mol
LogP4.77
Rot. Bonds8

About 2-butyl-N-(2-methyl-4-pyrrolidin-1-ylbutan-2-yl)-1-benzofuran-3-carboxamide

2-butyl-N-(2-methyl-4-pyrrolidin-1-ylbutan-2-yl)-1-benzofuran-3-carboxamide (PubChem CID 166366311) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 2-butyl-N-(2-methyl-4-pyrrolidin-1-ylbutan-2-yl)-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-butyl-N-(2-methyl-4-pyrrolidin-1-ylbutan-2-yl)-1-benzofuran-3-carboxamide
PubChem CID166366311
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name2-butyl-N-(2-methyl-4-pyrrolidin-1-ylbutan-2-yl)-1-benzofuran-3-carboxamide
SMILESCCCCc1oc2ccccc2c1C(=O)NC(C)(C)CCN1CCCC1
InChIInChI=1S/C22H32N2O2/c1-4-5-11-19-20(17-10-6-7-12-18(17)26-19)21(25)23-22(2,3)13-16-24-14-8-9-15-24/h6-7,10,12H,4-5,8-9,11,13-16H2,1-3H3,(H,23,25)
InChIKeyXOIQCWBTZKHHKS-UHFFFAOYSA-N
XLogP4.77
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-butyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]-1-benzofuran-3-carboxamide
CID 166366369
2-butyl-N-methyl-1-benzofuran-3-carboxamide
CID 141114520
(2-butyl-1-benzofuran-3-yl)-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone
CID 141302893
2-butyl-N-[(1-ethylazetidin-2-yl)methyl]-1-benzofuran-3-carboxamide
CID 167891012
2-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-carbohydrazide
CID 55212248
2-(piperidin-1-ylmethyl)-1-benzofuran-3-carbohydrazide
CID 63569906
N-(1-azabicyclo[3.2.1]octan-4-yl)-2-butyl-1-benzofuran-3-carboxamide
CID 167959391
bis(2-hexyl-1-benzofuran-3-yl)methanone
CID 102288992
1-(2-ethyl-1-benzofuran-3-yl)-3-piperidin-1-ylpropan-1-one;hydrochloride
CID 6603145
2-butyl-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-benzofuran-3-carboxamide
CID 167967580
methyl 2-hexyl-1-benzofuran-3-carboxylate
CID 102288995
2-butyl-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]-1-benzofuran-3-carboxamide
CID 167847342

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-(2-methyl-4-pyrrolidin-1-ylbutan-2-yl)-1-benzofuran-3-carboxamide?
The IUPAC name of 2-butyl-N-(2-methyl-4-pyrrolidin-1-ylbutan-2-yl)-1-benzofuran-3-carboxamide (CID 166366311) is 2-butyl-N-(2-methyl-4-pyrrolidin-1-ylbutan-2-yl)-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-butyl-N-(2-methyl-4-pyrrolidin-1-ylbutan-2-yl)-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-butyl-N-(2-methyl-4-pyrrolidin-1-ylbutan-2-yl)-1-benzofuran-3-carboxamide is CCCCc1oc2ccccc2c1C(=O)NC(C)(C)CCN1CCCC1.
What is the InChIKey of 2-butyl-N-(2-methyl-4-pyrrolidin-1-ylbutan-2-yl)-1-benzofuran-3-carboxamide?
The InChIKey is XOIQCWBTZKHHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-4-5-11-19-20(17-10-6-7-12-18(17)26-19)21(25)23-22(2,3)13-16-24-14-8-9-15-24/h6-7,10,12H,4-5,8-9,11,13-16H2,1-3H3,(H,23,25).
What are the key properties of 2-butyl-N-(2-methyl-4-pyrrolidin-1-ylbutan-2-yl)-1-benzofuran-3-carboxamide?
2-butyl-N-(2-methyl-4-pyrrolidin-1-ylbutan-2-yl)-1-benzofuran-3-carboxamide has a molecular weight of 356.51 g/mol, XLogP of 4.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-(2-methyl-4-pyrrolidin-1-ylbutan-2-yl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 166366311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).