[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate

C22H26N2O5 — CID 7841916

IUPAC[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate
SMILESCc1ccccc1OCCC(=O)OCC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H26N2O5/c1-17-4-2-3-5-20(17)28-13-10-22(26)29-16-21(25)23-18-6-8-19(9-7-18)24-11-14-27-15-12-24/h2-9H,10-16H2,1H3,(H,23,25)
InChIKeyZQKUESYLMDOKED-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.78
Rot. Bonds8

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

[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate (PubChem CID 7841916) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate.

Molecular Properties

Compound Name[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate
PubChem CID7841916
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC Name[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate
SMILESCc1ccccc1OCCC(=O)OCC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H26N2O5/c1-17-4-2-3-5-20(17)28-13-10-22(26)29-16-21(25)23-18-6-8-19(9-7-18)24-11-14-27-15-12-24/h2-9H,10-16H2,1H3,(H,23,25)
InChIKeyZQKUESYLMDOKED-UHFFFAOYSA-N
XLogP2.78
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate?
The IUPAC name of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate (CID 7841916) is [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate.
What is the SMILES notation for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate?
The canonical SMILES for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate is Cc1ccccc1OCCC(=O)OCC(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate?
The InChIKey is ZQKUESYLMDOKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-17-4-2-3-5-20(17)28-13-10-22(26)29-16-21(25)23-18-6-8-19(9-7-18)24-11-14-27-15-12-24/h2-9H,10-16H2,1H3,(H,23,25).
What are the key properties of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate?
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate has a molecular weight of 398.46 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate is sourced from PubChem (CID 7841916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).