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

C20H20N2O4 — CID 6472730

IUPACN-(5-methoxy-2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc(N2CCOCC2)c(NC(=O)c2cc3ccccc3o2)c1
InChIInChI=1S/C20H20N2O4/c1-24-15-6-7-17(22-8-10-25-11-9-22)16(13-15)21-20(23)19-12-14-4-2-3-5-18(14)26-19/h2-7,12-13H,8-11H2,1H3,(H,21,23)
InChIKeyXQEDOXWUFPYNQB-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.53
Rot. Bonds4

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

N-(5-methoxy-2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide (PubChem CID 6472730) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-(5-methoxy-2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(5-methoxy-2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
PubChem CID6472730
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC NameN-(5-methoxy-2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc(N2CCOCC2)c(NC(=O)c2cc3ccccc3o2)c1
InChIInChI=1S/C20H20N2O4/c1-24-15-6-7-17(22-8-10-25-11-9-22)16(13-15)21-20(23)19-12-14-4-2-3-5-18(14)26-19/h2-7,12-13H,8-11H2,1H3,(H,21,23)
InChIKeyXQEDOXWUFPYNQB-UHFFFAOYSA-N
XLogP3.53
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(5-methoxy-2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide (CID 6472730) is N-(5-methoxy-2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(5-methoxy-2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(5-methoxy-2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide is COc1ccc(N2CCOCC2)c(NC(=O)c2cc3ccccc3o2)c1.
What is the InChIKey of N-(5-methoxy-2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is XQEDOXWUFPYNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-24-15-6-7-17(22-8-10-25-11-9-22)16(13-15)21-20(23)19-12-14-4-2-3-5-18(14)26-19/h2-7,12-13H,8-11H2,1H3,(H,21,23).
What are the key properties of N-(5-methoxy-2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide?
N-(5-methoxy-2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 6472730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).