[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate

C22H23FN2O5 — CID 2417658

IUPAC[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
SMILESO=C(COC(=O)CCC(=O)c1ccc(F)cc1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H23FN2O5/c23-17-3-1-16(2-4-17)20(26)9-10-22(28)30-15-21(27)24-18-5-7-19(8-6-18)25-11-13-29-14-12-25/h1-8H,9-15H2,(H,24,27)
InChIKeyYLABAADXHDTJLL-UHFFFAOYSA-N
MW414.43 g/mol
LogP2.81
Rot. Bonds8

About [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate

[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate (PubChem CID 2417658) has the molecular formula C22H23FN2O5 and a molecular weight of 414.43 g/mol. Its IUPAC name is [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate.

Molecular Properties

Compound Name[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
PubChem CID2417658
Molecular FormulaC22H23FN2O5
Molecular Weight414.43 g/mol
Exact Mass414.16
IUPAC Name[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
SMILESO=C(COC(=O)CCC(=O)c1ccc(F)cc1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H23FN2O5/c23-17-3-1-16(2-4-17)20(26)9-10-22(28)30-15-21(27)24-18-5-7-19(8-6-18)25-11-13-29-14-12-25/h1-8H,9-15H2,(H,24,27)
InChIKeyYLABAADXHDTJLL-UHFFFAOYSA-N
XLogP2.81
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 52.81
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] 4-(4-fluorophenyl)-4-oxobutanoate?
The IUPAC name of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate (CID 2417658) is [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate.
What is the SMILES notation for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
The canonical SMILES for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate is O=C(COC(=O)CCC(=O)c1ccc(F)cc1)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
The InChIKey is YLABAADXHDTJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O5/c23-17-3-1-16(2-4-17)20(26)9-10-22(28)30-15-21(27)24-18-5-7-19(8-6-18)25-11-13-29-14-12-25/h1-8H,9-15H2,(H,24,27).
What are the key properties of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate has a molecular weight of 414.43 g/mol, XLogP of 2.81, 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] 4-(4-fluorophenyl)-4-oxobutanoate is sourced from PubChem (CID 2417658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).