N-(2-morpholin-4-ylphenyl)-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide

C20H20N2O4 — CID 2999418

IUPACN-(2-morpholin-4-ylphenyl)-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide
SMILESO=C(CC1OC(=O)c2ccccc21)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C20H20N2O4/c23-19(13-18-14-5-1-2-6-15(14)20(24)26-18)21-16-7-3-4-8-17(16)22-9-11-25-12-10-22/h1-8,18H,9-13H2,(H,21,23)
InChIKeyKLOWHNDVBNYCPV-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.76
Rot. Bonds4

About N-(2-morpholin-4-ylphenyl)-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide

N-(2-morpholin-4-ylphenyl)-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide (PubChem CID 2999418) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-(2-morpholin-4-ylphenyl)-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylphenyl)-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide
PubChem CID2999418
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC NameN-(2-morpholin-4-ylphenyl)-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide
SMILESO=C(CC1OC(=O)c2ccccc21)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C20H20N2O4/c23-19(13-18-14-5-1-2-6-15(14)20(24)26-18)21-16-7-3-4-8-17(16)22-9-11-25-12-10-22/h1-8,18H,9-13H2,(H,21,23)
InChIKeyKLOWHNDVBNYCPV-UHFFFAOYSA-N
XLogP2.76
TPSA67.87 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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylphenyl)-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide?
The IUPAC name of N-(2-morpholin-4-ylphenyl)-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide (CID 2999418) is N-(2-morpholin-4-ylphenyl)-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide.
What is the SMILES notation for N-(2-morpholin-4-ylphenyl)-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide?
The canonical SMILES for N-(2-morpholin-4-ylphenyl)-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide is O=C(CC1OC(=O)c2ccccc21)Nc1ccccc1N1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylphenyl)-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide?
The InChIKey is KLOWHNDVBNYCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c23-19(13-18-14-5-1-2-6-15(14)20(24)26-18)21-16-7-3-4-8-17(16)22-9-11-25-12-10-22/h1-8,18H,9-13H2,(H,21,23).
What are the key properties of N-(2-morpholin-4-ylphenyl)-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide?
N-(2-morpholin-4-ylphenyl)-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide has a molecular weight of 352.39 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylphenyl)-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide is sourced from PubChem (CID 2999418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).