5-ethoxy-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-benzofuran-2-carboxamide

C23H24N2O4 — CID 8589120

IUPAC5-ethoxy-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-benzofuran-2-carboxamide
SMILESCCOc1ccc2oc(C(=O)NCc3ccc(N4CCCC4=O)cc3)c(C)c2c1
InChIInChI=1S/C23H24N2O4/c1-3-28-18-10-11-20-19(13-18)15(2)22(29-20)23(27)24-14-16-6-8-17(9-7-16)25-12-4-5-21(25)26/h6-11,13H,3-5,12,14H2,1-2H3,(H,24,27)
InChIKeyWFXRJPRWYXLAKI-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.20
Rot. Bonds6

About 5-ethoxy-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-benzofuran-2-carboxamide

5-ethoxy-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 8589120) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 5-ethoxy-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-ethoxy-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-benzofuran-2-carboxamide
PubChem CID8589120
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name5-ethoxy-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-benzofuran-2-carboxamide
SMILESCCOc1ccc2oc(C(=O)NCc3ccc(N4CCCC4=O)cc3)c(C)c2c1
InChIInChI=1S/C23H24N2O4/c1-3-28-18-10-11-20-19(13-18)15(2)22(29-20)23(27)24-14-16-6-8-17(9-7-16)25-12-4-5-21(25)26/h6-11,13H,3-5,12,14H2,1-2H3,(H,24,27)
InChIKeyWFXRJPRWYXLAKI-UHFFFAOYSA-N
XLogP4.20
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethoxy-3-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 26976942
5-methoxy-3-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 55659157
7-fluoro-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 8589442
5-ethoxy-3-methyl-N-(4-piperidin-1-ylphenyl)-1-benzofuran-2-carboxamide
CID 8892336
5-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 9080704
1-[(3-ethoxyphenyl)methyl]-2-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine
CID 111412906
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-propoxybenzamide
CID 46490538
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24551216
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 46486165
N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2412037
1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-2-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine
CID 111413760

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-ethoxy-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-benzofuran-2-carboxamide (CID 8589120) is 5-ethoxy-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-ethoxy-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-ethoxy-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-benzofuran-2-carboxamide is CCOc1ccc2oc(C(=O)NCc3ccc(N4CCCC4=O)cc3)c(C)c2c1.
What is the InChIKey of 5-ethoxy-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-benzofuran-2-carboxamide?
The InChIKey is WFXRJPRWYXLAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-3-28-18-10-11-20-19(13-18)15(2)22(29-20)23(27)24-14-16-6-8-17(9-7-16)25-12-4-5-21(25)26/h6-11,13H,3-5,12,14H2,1-2H3,(H,24,27).
What are the key properties of 5-ethoxy-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-benzofuran-2-carboxamide?
5-ethoxy-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 8589120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).