[2-(4-acetylanilino)-2-oxoethyl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate

C24H26N2O8 — CID 4288199

IUPAC[2-(4-acetylanilino)-2-oxoethyl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
SMILESCOc1cc(C(=O)OCC(=O)Nc2ccc(C(C)=O)cc2)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C24H26N2O8/c1-16(27)17-3-6-19(7-4-17)25-22(28)14-34-24(30)18-5-8-20(21(13-18)31-2)33-15-23(29)26-9-11-32-12-10-26/h3-8,13H,9-12,14-15H2,1-2H3,(H,25,28)
InChIKeyXGGGHNDYJLQPGA-UHFFFAOYSA-N
MW470.48 g/mol
LogP1.93
Rot. Bonds9

About [2-(4-acetylanilino)-2-oxoethyl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate

[2-(4-acetylanilino)-2-oxoethyl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate (PubChem CID 4288199) has the molecular formula C24H26N2O8 and a molecular weight of 470.48 g/mol. Its IUPAC name is [2-(4-acetylanilino)-2-oxoethyl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate.

Molecular Properties

Compound Name[2-(4-acetylanilino)-2-oxoethyl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
PubChem CID4288199
Molecular FormulaC24H26N2O8
Molecular Weight470.48 g/mol
Exact Mass470.17
IUPAC Name[2-(4-acetylanilino)-2-oxoethyl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
SMILESCOc1cc(C(=O)OCC(=O)Nc2ccc(C(C)=O)cc2)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C24H26N2O8/c1-16(27)17-3-6-19(7-4-17)25-22(28)14-34-24(30)18-5-8-20(21(13-18)31-2)33-15-23(29)26-9-11-32-12-10-26/h3-8,13H,9-12,14-15H2,1-2H3,(H,25,28)
InChIKeyXGGGHNDYJLQPGA-UHFFFAOYSA-N
XLogP1.93
TPSA120.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.48
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-(4-acetylanilino)-2-oxoethyl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate?
The IUPAC name of [2-(4-acetylanilino)-2-oxoethyl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate (CID 4288199) is [2-(4-acetylanilino)-2-oxoethyl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate.
What is the SMILES notation for [2-(4-acetylanilino)-2-oxoethyl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate?
The canonical SMILES for [2-(4-acetylanilino)-2-oxoethyl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate is COc1cc(C(=O)OCC(=O)Nc2ccc(C(C)=O)cc2)ccc1OCC(=O)N1CCOCC1.
What is the InChIKey of [2-(4-acetylanilino)-2-oxoethyl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate?
The InChIKey is XGGGHNDYJLQPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O8/c1-16(27)17-3-6-19(7-4-17)25-22(28)14-34-24(30)18-5-8-20(21(13-18)31-2)33-15-23(29)26-9-11-32-12-10-26/h3-8,13H,9-12,14-15H2,1-2H3,(H,25,28).
What are the key properties of [2-(4-acetylanilino)-2-oxoethyl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate?
[2-(4-acetylanilino)-2-oxoethyl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate has a molecular weight of 470.48 g/mol, XLogP of 1.93, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetylanilino)-2-oxoethyl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate is sourced from PubChem (CID 4288199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).