[2-(2-morpholin-4-ylanilino)-2-oxoethyl] benzoate

C19H20N2O4 — CID 847696

IUPAC[2-(2-morpholin-4-ylanilino)-2-oxoethyl] benzoate
SMILESO=C(COC(=O)c1ccccc1)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C19H20N2O4/c22-18(14-25-19(23)15-6-2-1-3-7-15)20-16-8-4-5-9-17(16)21-10-12-24-13-11-21/h1-9H,10-14H2,(H,20,22)
InChIKeyPGMGXYXFGXRTJE-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.32
Rot. Bonds5

About [2-(2-morpholin-4-ylanilino)-2-oxoethyl] benzoate

[2-(2-morpholin-4-ylanilino)-2-oxoethyl] benzoate (PubChem CID 847696) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is [2-(2-morpholin-4-ylanilino)-2-oxoethyl] benzoate.

Molecular Properties

Compound Name[2-(2-morpholin-4-ylanilino)-2-oxoethyl] benzoate
PubChem CID847696
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name[2-(2-morpholin-4-ylanilino)-2-oxoethyl] benzoate
SMILESO=C(COC(=O)c1ccccc1)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C19H20N2O4/c22-18(14-25-19(23)15-6-2-1-3-7-15)20-16-8-4-5-9-17(16)21-10-12-24-13-11-21/h1-9H,10-14H2,(H,20,22)
InChIKeyPGMGXYXFGXRTJE-UHFFFAOYSA-N
XLogP2.32
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2-morpholin-4-ylanilino)-2-oxoethyl] benzoate?
The IUPAC name of [2-(2-morpholin-4-ylanilino)-2-oxoethyl] benzoate (CID 847696) is [2-(2-morpholin-4-ylanilino)-2-oxoethyl] benzoate.
What is the SMILES notation for [2-(2-morpholin-4-ylanilino)-2-oxoethyl] benzoate?
The canonical SMILES for [2-(2-morpholin-4-ylanilino)-2-oxoethyl] benzoate is O=C(COC(=O)c1ccccc1)Nc1ccccc1N1CCOCC1.
What is the InChIKey of [2-(2-morpholin-4-ylanilino)-2-oxoethyl] benzoate?
The InChIKey is PGMGXYXFGXRTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c22-18(14-25-19(23)15-6-2-1-3-7-15)20-16-8-4-5-9-17(16)21-10-12-24-13-11-21/h1-9H,10-14H2,(H,20,22).
What are the key properties of [2-(2-morpholin-4-ylanilino)-2-oxoethyl] benzoate?
[2-(2-morpholin-4-ylanilino)-2-oxoethyl] benzoate has a molecular weight of 340.38 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-morpholin-4-ylanilino)-2-oxoethyl] benzoate is sourced from PubChem (CID 847696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).