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

C21H22N2O4 — CID 7922296

IUPAC5-methoxy-3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)Nc3ccc(N4CCOCC4)cc3)c(C)c2c1
InChIInChI=1S/C21H22N2O4/c1-14-18-13-17(25-2)7-8-19(18)27-20(14)21(24)22-15-3-5-16(6-4-15)23-9-11-26-12-10-23/h3-8,13H,9-12H2,1-2H3,(H,22,24)
InChIKeyGPTZAVXRUZUCEA-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.84
Rot. Bonds4

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

5-methoxy-3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide (PubChem CID 7922296) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 5-methoxy-3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
PubChem CID7922296
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name5-methoxy-3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)Nc3ccc(N4CCOCC4)cc3)c(C)c2c1
InChIInChI=1S/C21H22N2O4/c1-14-18-13-17(25-2)7-8-19(18)27-20(14)21(24)22-15-3-5-16(6-4-15)23-9-11-26-12-10-23/h3-8,13H,9-12H2,1-2H3,(H,22,24)
InChIKeyGPTZAVXRUZUCEA-UHFFFAOYSA-N
XLogP3.84
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-methoxy-3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-methoxy-3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide (CID 7922296) is 5-methoxy-3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-methoxy-3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-methoxy-3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide is COc1ccc2oc(C(=O)Nc3ccc(N4CCOCC4)cc3)c(C)c2c1.
What is the InChIKey of 5-methoxy-3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is GPTZAVXRUZUCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-14-18-13-17(25-2)7-8-19(18)27-20(14)21(24)22-15-3-5-16(6-4-15)23-9-11-26-12-10-23/h3-8,13H,9-12H2,1-2H3,(H,22,24).
What are the key properties of 5-methoxy-3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide?
5-methoxy-3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7922296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).