[[2-(4-morpholin-4-ylphenyl)-2-oxo-1-phenylethyl]amino] benzoate

C25H24N2O4 — CID 130241138

IUPAC[[2-(4-morpholin-4-ylphenyl)-2-oxo-1-phenylethyl]amino] benzoate
SMILESO=C(ONC(C(=O)c1ccc(N2CCOCC2)cc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H24N2O4/c28-24(20-11-13-22(14-12-20)27-15-17-30-18-16-27)23(19-7-3-1-4-8-19)26-31-25(29)21-9-5-2-6-10-21/h1-14,23,26H,15-18H2
InChIKeyXWGBXLJRYVAPOP-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.81
Rot. Bonds7

About [[2-(4-morpholin-4-ylphenyl)-2-oxo-1-phenylethyl]amino] benzoate

[[2-(4-morpholin-4-ylphenyl)-2-oxo-1-phenylethyl]amino] benzoate (PubChem CID 130241138) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is [[2-(4-morpholin-4-ylphenyl)-2-oxo-1-phenylethyl]amino] benzoate.

Molecular Properties

Compound Name[[2-(4-morpholin-4-ylphenyl)-2-oxo-1-phenylethyl]amino] benzoate
PubChem CID130241138
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name[[2-(4-morpholin-4-ylphenyl)-2-oxo-1-phenylethyl]amino] benzoate
SMILESO=C(ONC(C(=O)c1ccc(N2CCOCC2)cc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H24N2O4/c28-24(20-11-13-22(14-12-20)27-15-17-30-18-16-27)23(19-7-3-1-4-8-19)26-31-25(29)21-9-5-2-6-10-21/h1-14,23,26H,15-18H2
InChIKeyXWGBXLJRYVAPOP-UHFFFAOYSA-N
XLogP3.81
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[2-(4-morpholin-4-ylphenyl)-2-oxo-1-phenylethyl]amino] benzoate?
The IUPAC name of [[2-(4-morpholin-4-ylphenyl)-2-oxo-1-phenylethyl]amino] benzoate (CID 130241138) is [[2-(4-morpholin-4-ylphenyl)-2-oxo-1-phenylethyl]amino] benzoate.
What is the SMILES notation for [[2-(4-morpholin-4-ylphenyl)-2-oxo-1-phenylethyl]amino] benzoate?
The canonical SMILES for [[2-(4-morpholin-4-ylphenyl)-2-oxo-1-phenylethyl]amino] benzoate is O=C(ONC(C(=O)c1ccc(N2CCOCC2)cc1)c1ccccc1)c1ccccc1.
What is the InChIKey of [[2-(4-morpholin-4-ylphenyl)-2-oxo-1-phenylethyl]amino] benzoate?
The InChIKey is XWGBXLJRYVAPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c28-24(20-11-13-22(14-12-20)27-15-17-30-18-16-27)23(19-7-3-1-4-8-19)26-31-25(29)21-9-5-2-6-10-21/h1-14,23,26H,15-18H2.
What are the key properties of [[2-(4-morpholin-4-ylphenyl)-2-oxo-1-phenylethyl]amino] benzoate?
[[2-(4-morpholin-4-ylphenyl)-2-oxo-1-phenylethyl]amino] benzoate has a molecular weight of 416.48 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-(4-morpholin-4-ylphenyl)-2-oxo-1-phenylethyl]amino] benzoate is sourced from PubChem (CID 130241138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).