5-ethyl-3-methyl-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide

C21H28N2O2 — CID 91957127

IUPAC5-ethyl-3-methyl-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide
SMILESCCc1ccc2oc(C(=O)NCC3(CN4CCCC4)CC3)c(C)c2c1
InChIInChI=1S/C21H28N2O2/c1-3-16-6-7-18-17(12-16)15(2)19(25-18)20(24)22-13-21(8-9-21)14-23-10-4-5-11-23/h6-7,12H,3-5,8-11,13-14H2,1-2H3,(H,22,24)
InChIKeyQXTYLRSTBIQKCR-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.91
Rot. Bonds6

About 5-ethyl-3-methyl-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide

5-ethyl-3-methyl-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 91957127) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 5-ethyl-3-methyl-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-3-methyl-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide
PubChem CID91957127
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name5-ethyl-3-methyl-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide
SMILESCCc1ccc2oc(C(=O)NCC3(CN4CCCC4)CC3)c(C)c2c1
InChIInChI=1S/C21H28N2O2/c1-3-16-6-7-18-17(12-16)15(2)19(25-18)20(24)22-13-21(8-9-21)14-23-10-4-5-11-23/h6-7,12H,3-5,8-11,13-14H2,1-2H3,(H,22,24)
InChIKeyQXTYLRSTBIQKCR-UHFFFAOYSA-N
XLogP3.91
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]-1-benzofuran-2-carboxamide
CID 91957980
N-(cyclobutylmethyl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide
CID 95756517
5-ethyl-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide
CID 19241055
5-ethyl-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide
CID 102534716
5-bromo-3-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1-benzofuran-2-carboxamide
CID 3950385
N-tert-butyl-5-ethyl-3-methyl-1-benzofuran-2-carboxamide
CID 19241054
1-(5-ethyl-3-methyl-1-benzofuran-2-yl)ethanone
CID 43155112
3-methyl-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1,2-oxazole-5-carboxamide
CID 91957130
5-ethyl-N-(2-ethylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 19241076
N-[[1-(hydroxymethyl)cyclobutyl]methyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide
CID 91954352
5-ethyl-N-(3-iodophenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 1248180
N-[(1-hydroxycyclobutyl)methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 111445162

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-methyl-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-ethyl-3-methyl-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide (CID 91957127) is 5-ethyl-3-methyl-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-ethyl-3-methyl-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-ethyl-3-methyl-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide is CCc1ccc2oc(C(=O)NCC3(CN4CCCC4)CC3)c(C)c2c1.
What is the InChIKey of 5-ethyl-3-methyl-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide?
The InChIKey is QXTYLRSTBIQKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-3-16-6-7-18-17(12-16)15(2)19(25-18)20(24)22-13-21(8-9-21)14-23-10-4-5-11-23/h6-7,12H,3-5,8-11,13-14H2,1-2H3,(H,22,24).
What are the key properties of 5-ethyl-3-methyl-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide?
5-ethyl-3-methyl-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methyl-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 91957127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).