5-methoxy-3-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide

C22H24N2O3 — CID 55659157

IUPAC5-methoxy-3-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)NCc3ccc(N4CCCC4)cc3)c(C)c2c1
InChIInChI=1S/C22H24N2O3/c1-15-19-13-18(26-2)9-10-20(19)27-21(15)22(25)23-14-16-5-7-17(8-6-16)24-11-3-4-12-24/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,23,25)
InChIKeySLTFFZJYTKDBFM-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.28
Rot. Bonds5

About 5-methoxy-3-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide

5-methoxy-3-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 55659157) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 5-methoxy-3-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-3-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide
PubChem CID55659157
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name5-methoxy-3-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)NCc3ccc(N4CCCC4)cc3)c(C)c2c1
InChIInChI=1S/C22H24N2O3/c1-15-19-13-18(26-2)9-10-20(19)27-21(15)22(25)23-14-16-5-7-17(8-6-16)24-11-3-4-12-24/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,23,25)
InChIKeySLTFFZJYTKDBFM-UHFFFAOYSA-N
XLogP4.28
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(diethylaminomethyl)phenyl]methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8948017
5-ethoxy-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 8589120
5-ethoxy-3-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 26976942
N-(cyclohexylmethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2644358
5-ethoxy-3-methyl-N-(4-piperidin-1-ylphenyl)-1-benzofuran-2-carboxamide
CID 8892336
N-[(1-hydroxycyclobutyl)methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 111445162
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 78867735
[4-(4-fluorophenyl)piperazin-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone
CID 9077758
5-methoxy-3-methyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-1-benzofuran-2-carboxamide
CID 55672407
5-methoxy-3-methyl-N-(3-piperidin-1-ium-1-ylpropyl)-1-benzofuran-2-carboxamide
CID 9049025
5-methoxy-3-methyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 8969278
N-(2,6-dimethylpiperidin-1-yl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 3506352

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-methoxy-3-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide (CID 55659157) is 5-methoxy-3-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-methoxy-3-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-methoxy-3-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide is COc1ccc2oc(C(=O)NCc3ccc(N4CCCC4)cc3)c(C)c2c1.
What is the InChIKey of 5-methoxy-3-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is SLTFFZJYTKDBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-15-19-13-18(26-2)9-10-20(19)27-21(15)22(25)23-14-16-5-7-17(8-6-16)24-11-3-4-12-24/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,23,25).
What are the key properties of 5-methoxy-3-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide?
5-methoxy-3-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55659157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).