2-morpholin-4-yl-5-[(2-phenylacetyl)amino]benzoic acid

C19H20N2O4 — CID 880548

IUPAC2-morpholin-4-yl-5-[(2-phenylacetyl)amino]benzoic acid
SMILESO=C(Cc1ccccc1)Nc1ccc(N2CCOCC2)c(C(=O)O)c1
InChIInChI=1S/C19H20N2O4/c22-18(12-14-4-2-1-3-5-14)20-15-6-7-17(16(13-15)19(23)24)21-8-10-25-11-9-21/h1-7,13H,8-12H2,(H,20,22)(H,23,24)
InChIKeyXTJSBJOSHXEYOW-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.40
Rot. Bonds5

About 2-morpholin-4-yl-5-[(2-phenylacetyl)amino]benzoic acid

2-morpholin-4-yl-5-[(2-phenylacetyl)amino]benzoic acid (PubChem CID 880548) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-morpholin-4-yl-5-[(2-phenylacetyl)amino]benzoic acid.

Molecular Properties

Compound Name2-morpholin-4-yl-5-[(2-phenylacetyl)amino]benzoic acid
PubChem CID880548
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name2-morpholin-4-yl-5-[(2-phenylacetyl)amino]benzoic acid
SMILESO=C(Cc1ccccc1)Nc1ccc(N2CCOCC2)c(C(=O)O)c1
InChIInChI=1S/C19H20N2O4/c22-18(12-14-4-2-1-3-5-14)20-15-6-7-17(16(13-15)19(23)24)21-8-10-25-11-9-21/h1-7,13H,8-12H2,(H,20,22)(H,23,24)
InChIKeyXTJSBJOSHXEYOW-UHFFFAOYSA-N
XLogP2.40
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-5-[(2-phenylacetyl)amino]benzoic acid?
The IUPAC name of 2-morpholin-4-yl-5-[(2-phenylacetyl)amino]benzoic acid (CID 880548) is 2-morpholin-4-yl-5-[(2-phenylacetyl)amino]benzoic acid.
What is the SMILES notation for 2-morpholin-4-yl-5-[(2-phenylacetyl)amino]benzoic acid?
The canonical SMILES for 2-morpholin-4-yl-5-[(2-phenylacetyl)amino]benzoic acid is O=C(Cc1ccccc1)Nc1ccc(N2CCOCC2)c(C(=O)O)c1.
What is the InChIKey of 2-morpholin-4-yl-5-[(2-phenylacetyl)amino]benzoic acid?
The InChIKey is XTJSBJOSHXEYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c22-18(12-14-4-2-1-3-5-14)20-15-6-7-17(16(13-15)19(23)24)21-8-10-25-11-9-21/h1-7,13H,8-12H2,(H,20,22)(H,23,24).
What are the key properties of 2-morpholin-4-yl-5-[(2-phenylacetyl)amino]benzoic acid?
2-morpholin-4-yl-5-[(2-phenylacetyl)amino]benzoic acid has a molecular weight of 340.38 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-5-[(2-phenylacetyl)amino]benzoic acid is sourced from PubChem (CID 880548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).