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

C25H28N2O4 — CID 26976942

IUPAC5-ethoxy-3-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide
SMILESCCOc1ccc2oc(C(=O)NCc3ccc(C(=O)N4CCCCC4)cc3)c(C)c2c1
InChIInChI=1S/C25H28N2O4/c1-3-30-20-11-12-22-21(15-20)17(2)23(31-22)24(28)26-16-18-7-9-19(10-8-18)25(29)27-13-5-4-6-14-27/h7-12,15H,3-6,13-14,16H2,1-2H3,(H,26,28)
InChIKeyHVNXWMYQUVWREU-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.70
Rot. Bonds6

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

5-ethoxy-3-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 26976942) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is 5-ethoxy-3-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-ethoxy-3-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide
PubChem CID26976942
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC Name5-ethoxy-3-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide
SMILESCCOc1ccc2oc(C(=O)NCc3ccc(C(=O)N4CCCCC4)cc3)c(C)c2c1
InChIInChI=1S/C25H28N2O4/c1-3-30-20-11-12-22-21(15-20)17(2)23(31-22)24(28)26-16-18-7-9-19(10-8-18)25(29)27-13-5-4-6-14-27/h7-12,15H,3-6,13-14,16H2,1-2H3,(H,26,28)
InChIKeyHVNXWMYQUVWREU-UHFFFAOYSA-N
XLogP4.70
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethoxy-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 8589120
5-methoxy-3-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 55659157
(5-ethoxy-3-methyl-1-benzofuran-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 2425877
5-bromo-3-methyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 55709892
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
2,4-dimethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,3-oxazole-5-carboxamide
CID 118789869
6-ethoxy-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyridine-3-carboxamide
CID 47047914
N-[[4-(diethylaminomethyl)phenyl]methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8948017
(5-ethoxy-3-methyl-1-benzofuran-2-yl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 71904304
N-(4-acetamidophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8701405
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-ethoxy-3-methyl-1-benzofuran-2-yl)methanone
CID 8968412

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-ethoxy-3-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide (CID 26976942) is 5-ethoxy-3-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-ethoxy-3-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-ethoxy-3-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide is CCOc1ccc2oc(C(=O)NCc3ccc(C(=O)N4CCCCC4)cc3)c(C)c2c1.
What is the InChIKey of 5-ethoxy-3-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
The InChIKey is HVNXWMYQUVWREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-3-30-20-11-12-22-21(15-20)17(2)23(31-22)24(28)26-16-18-7-9-19(10-8-18)25(29)27-13-5-4-6-14-27/h7-12,15H,3-6,13-14,16H2,1-2H3,(H,26,28).
What are the key properties of 5-ethoxy-3-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
5-ethoxy-3-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 4.70, 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-(piperidine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 26976942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).