5-ethoxy-3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide

C22H24N2O4 — CID 2441245

IUPAC5-ethoxy-3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
SMILESCCOc1ccc2oc(C(=O)Nc3ccc(N4CCOCC4)cc3)c(C)c2c1
InChIInChI=1S/C22H24N2O4/c1-3-27-18-8-9-20-19(14-18)15(2)21(28-20)22(25)23-16-4-6-17(7-5-16)24-10-12-26-13-11-24/h4-9,14H,3,10-13H2,1-2H3,(H,23,25)
InChIKeyAEYBWLMSPNXJBG-UHFFFAOYSA-N
MW380.44 g/mol
LogP4.23
Rot. Bonds5

About 5-ethoxy-3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide

5-ethoxy-3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide (PubChem CID 2441245) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 5-ethoxy-3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-ethoxy-3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
PubChem CID2441245
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name5-ethoxy-3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
SMILESCCOc1ccc2oc(C(=O)Nc3ccc(N4CCOCC4)cc3)c(C)c2c1
InChIInChI=1S/C22H24N2O4/c1-3-27-18-8-9-20-19(14-18)15(2)21(28-20)22(25)23-16-4-6-17(7-5-16)24-10-12-26-13-11-24/h4-9,14H,3,10-13H2,1-2H3,(H,23,25)
InChIKeyAEYBWLMSPNXJBG-UHFFFAOYSA-N
XLogP4.23
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-ethoxy-3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide (CID 2441245) is 5-ethoxy-3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-ethoxy-3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-ethoxy-3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide is CCOc1ccc2oc(C(=O)Nc3ccc(N4CCOCC4)cc3)c(C)c2c1.
What is the InChIKey of 5-ethoxy-3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is AEYBWLMSPNXJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-3-27-18-8-9-20-19(14-18)15(2)21(28-20)22(25)23-16-4-6-17(7-5-16)24-10-12-26-13-11-24/h4-9,14H,3,10-13H2,1-2H3,(H,23,25).
What are the key properties of 5-ethoxy-3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide?
5-ethoxy-3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 380.44 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2441245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).