N-[4-(morpholin-4-ylmethyl)phenyl]-1-benzofuran-2-carboxamide

C20H20N2O3 — CID 892458

IUPACN-[4-(morpholin-4-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(CN2CCOCC2)cc1)c1cc2ccccc2o1
InChIInChI=1S/C20H20N2O3/c23-20(19-13-16-3-1-2-4-18(16)25-19)21-17-7-5-15(6-8-17)14-22-9-11-24-12-10-22/h1-8,13H,9-12,14H2,(H,21,23)
InChIKeyRUOGEMGNXBJZMR-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.52
Rot. Bonds4

About N-[4-(morpholin-4-ylmethyl)phenyl]-1-benzofuran-2-carboxamide

N-[4-(morpholin-4-ylmethyl)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 892458) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[4-(morpholin-4-ylmethyl)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(morpholin-4-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
PubChem CID892458
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-[4-(morpholin-4-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(CN2CCOCC2)cc1)c1cc2ccccc2o1
InChIInChI=1S/C20H20N2O3/c23-20(19-13-16-3-1-2-4-18(16)25-19)21-17-7-5-15(6-8-17)14-22-9-11-24-12-10-22/h1-8,13H,9-12,14H2,(H,21,23)
InChIKeyRUOGEMGNXBJZMR-UHFFFAOYSA-N
XLogP3.52
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(morpholin-4-ylmethyl)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-(morpholin-4-ylmethyl)phenyl]-1-benzofuran-2-carboxamide (CID 892458) is N-[4-(morpholin-4-ylmethyl)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-(morpholin-4-ylmethyl)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-(morpholin-4-ylmethyl)phenyl]-1-benzofuran-2-carboxamide is O=C(Nc1ccc(CN2CCOCC2)cc1)c1cc2ccccc2o1.
What is the InChIKey of N-[4-(morpholin-4-ylmethyl)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is RUOGEMGNXBJZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c23-20(19-13-16-3-1-2-4-18(16)25-19)21-17-7-5-15(6-8-17)14-22-9-11-24-12-10-22/h1-8,13H,9-12,14H2,(H,21,23).
What are the key properties of N-[4-(morpholin-4-ylmethyl)phenyl]-1-benzofuran-2-carboxamide?
N-[4-(morpholin-4-ylmethyl)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(morpholin-4-ylmethyl)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 892458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).