[2-(2-morpholin-4-ylanilino)-2-oxoethyl] 3-methoxybenzoate

C20H22N2O5 — CID 648944

IUPAC[2-(2-morpholin-4-ylanilino)-2-oxoethyl] 3-methoxybenzoate
SMILESCOc1cccc(C(=O)OCC(=O)Nc2ccccc2N2CCOCC2)c1
InChIInChI=1S/C20H22N2O5/c1-25-16-6-4-5-15(13-16)20(24)27-14-19(23)21-17-7-2-3-8-18(17)22-9-11-26-12-10-22/h2-8,13H,9-12,14H2,1H3,(H,21,23)
InChIKeyXMZWQIIKAZJHCB-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.33
Rot. Bonds6

About [2-(2-morpholin-4-ylanilino)-2-oxoethyl] 3-methoxybenzoate

[2-(2-morpholin-4-ylanilino)-2-oxoethyl] 3-methoxybenzoate (PubChem CID 648944) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is [2-(2-morpholin-4-ylanilino)-2-oxoethyl] 3-methoxybenzoate.

Molecular Properties

Compound Name[2-(2-morpholin-4-ylanilino)-2-oxoethyl] 3-methoxybenzoate
PubChem CID648944
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name[2-(2-morpholin-4-ylanilino)-2-oxoethyl] 3-methoxybenzoate
SMILESCOc1cccc(C(=O)OCC(=O)Nc2ccccc2N2CCOCC2)c1
InChIInChI=1S/C20H22N2O5/c1-25-16-6-4-5-15(13-16)20(24)27-14-19(23)21-17-7-2-3-8-18(17)22-9-11-26-12-10-22/h2-8,13H,9-12,14H2,1H3,(H,21,23)
InChIKeyXMZWQIIKAZJHCB-UHFFFAOYSA-N
XLogP2.33
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(2-morpholin-4-ylanilino)-2-oxoethyl] 3-methoxybenzoate?
The IUPAC name of [2-(2-morpholin-4-ylanilino)-2-oxoethyl] 3-methoxybenzoate (CID 648944) is [2-(2-morpholin-4-ylanilino)-2-oxoethyl] 3-methoxybenzoate.
What is the SMILES notation for [2-(2-morpholin-4-ylanilino)-2-oxoethyl] 3-methoxybenzoate?
The canonical SMILES for [2-(2-morpholin-4-ylanilino)-2-oxoethyl] 3-methoxybenzoate is COc1cccc(C(=O)OCC(=O)Nc2ccccc2N2CCOCC2)c1.
What is the InChIKey of [2-(2-morpholin-4-ylanilino)-2-oxoethyl] 3-methoxybenzoate?
The InChIKey is XMZWQIIKAZJHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-25-16-6-4-5-15(13-16)20(24)27-14-19(23)21-17-7-2-3-8-18(17)22-9-11-26-12-10-22/h2-8,13H,9-12,14H2,1H3,(H,21,23).
What are the key properties of [2-(2-morpholin-4-ylanilino)-2-oxoethyl] 3-methoxybenzoate?
[2-(2-morpholin-4-ylanilino)-2-oxoethyl] 3-methoxybenzoate has a molecular weight of 370.41 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-morpholin-4-ylanilino)-2-oxoethyl] 3-methoxybenzoate is sourced from PubChem (CID 648944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).