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

C20H22N2O4 — CID 978518

IUPAC[2-(2-morpholin-4-ylanilino)-2-oxoethyl] 4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)Nc2ccccc2N2CCOCC2)cc1
InChIInChI=1S/C20H22N2O4/c1-15-6-8-16(9-7-15)20(24)26-14-19(23)21-17-4-2-3-5-18(17)22-10-12-25-13-11-22/h2-9H,10-14H2,1H3,(H,21,23)
InChIKeyDLPKHTALLNHKNZ-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.63
Rot. Bonds5

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

[2-(2-morpholin-4-ylanilino)-2-oxoethyl] 4-methylbenzoate (PubChem CID 978518) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is [2-(2-morpholin-4-ylanilino)-2-oxoethyl] 4-methylbenzoate.

Molecular Properties

Compound Name[2-(2-morpholin-4-ylanilino)-2-oxoethyl] 4-methylbenzoate
PubChem CID978518
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name[2-(2-morpholin-4-ylanilino)-2-oxoethyl] 4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)Nc2ccccc2N2CCOCC2)cc1
InChIInChI=1S/C20H22N2O4/c1-15-6-8-16(9-7-15)20(24)26-14-19(23)21-17-4-2-3-5-18(17)22-10-12-25-13-11-22/h2-9H,10-14H2,1H3,(H,21,23)
InChIKeyDLPKHTALLNHKNZ-UHFFFAOYSA-N
XLogP2.63
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.63
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] 4-methylbenzoate?
The IUPAC name of [2-(2-morpholin-4-ylanilino)-2-oxoethyl] 4-methylbenzoate (CID 978518) is [2-(2-morpholin-4-ylanilino)-2-oxoethyl] 4-methylbenzoate.
What is the SMILES notation for [2-(2-morpholin-4-ylanilino)-2-oxoethyl] 4-methylbenzoate?
The canonical SMILES for [2-(2-morpholin-4-ylanilino)-2-oxoethyl] 4-methylbenzoate is Cc1ccc(C(=O)OCC(=O)Nc2ccccc2N2CCOCC2)cc1.
What is the InChIKey of [2-(2-morpholin-4-ylanilino)-2-oxoethyl] 4-methylbenzoate?
The InChIKey is DLPKHTALLNHKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-15-6-8-16(9-7-15)20(24)26-14-19(23)21-17-4-2-3-5-18(17)22-10-12-25-13-11-22/h2-9H,10-14H2,1H3,(H,21,23).
What are the key properties of [2-(2-morpholin-4-ylanilino)-2-oxoethyl] 4-methylbenzoate?
[2-(2-morpholin-4-ylanilino)-2-oxoethyl] 4-methylbenzoate has a molecular weight of 354.41 g/mol, XLogP of 2.63, 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] 4-methylbenzoate is sourced from PubChem (CID 978518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).