2-[4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-N-(4-cyano-2-fluorophenyl)-2-hydroxyacetamide

C23H24FN3O4 — CID 77243074

IUPAC2-[4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-N-(4-cyano-2-fluorophenyl)-2-hydroxyacetamide
SMILESCC(C)(C)c1ccc(N2CCOC(C(O)C(=O)Nc3ccc(C#N)cc3F)C2=O)cc1
InChIInChI=1S/C23H24FN3O4/c1-23(2,3)15-5-7-16(8-6-15)27-10-11-31-20(22(27)30)19(28)21(29)26-18-9-4-14(13-25)12-17(18)24/h4-9,12,19-20,28H,10-11H2,1-3H3,(H,26,29)
InChIKeyOBBYIZBIYPUDMX-UHFFFAOYSA-N
MW425.46 g/mol
LogP2.73
Rot. Bonds4

About 2-[4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-N-(4-cyano-2-fluorophenyl)-2-hydroxyacetamide

2-[4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-N-(4-cyano-2-fluorophenyl)-2-hydroxyacetamide (PubChem CID 77243074) has the molecular formula C23H24FN3O4 and a molecular weight of 425.46 g/mol. Its IUPAC name is 2-[4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-N-(4-cyano-2-fluorophenyl)-2-hydroxyacetamide.

Molecular Properties

Compound Name2-[4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-N-(4-cyano-2-fluorophenyl)-2-hydroxyacetamide
PubChem CID77243074
Molecular FormulaC23H24FN3O4
Molecular Weight425.46 g/mol
Exact Mass425.18
IUPAC Name2-[4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-N-(4-cyano-2-fluorophenyl)-2-hydroxyacetamide
SMILESCC(C)(C)c1ccc(N2CCOC(C(O)C(=O)Nc3ccc(C#N)cc3F)C2=O)cc1
InChIInChI=1S/C23H24FN3O4/c1-23(2,3)15-5-7-16(8-6-15)27-10-11-31-20(22(27)30)19(28)21(29)26-18-9-4-14(13-25)12-17(18)24/h4-9,12,19-20,28H,10-11H2,1-3H3,(H,26,29)
InChIKeyOBBYIZBIYPUDMX-UHFFFAOYSA-N
XLogP2.73
TPSA102.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-N-(4-cyano-2-fluorophenyl)-2-hydroxyacetamide?
The IUPAC name of 2-[4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-N-(4-cyano-2-fluorophenyl)-2-hydroxyacetamide (CID 77243074) is 2-[4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-N-(4-cyano-2-fluorophenyl)-2-hydroxyacetamide.
What is the SMILES notation for 2-[4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-N-(4-cyano-2-fluorophenyl)-2-hydroxyacetamide?
The canonical SMILES for 2-[4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-N-(4-cyano-2-fluorophenyl)-2-hydroxyacetamide is CC(C)(C)c1ccc(N2CCOC(C(O)C(=O)Nc3ccc(C#N)cc3F)C2=O)cc1.
What is the InChIKey of 2-[4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-N-(4-cyano-2-fluorophenyl)-2-hydroxyacetamide?
The InChIKey is OBBYIZBIYPUDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O4/c1-23(2,3)15-5-7-16(8-6-15)27-10-11-31-20(22(27)30)19(28)21(29)26-18-9-4-14(13-25)12-17(18)24/h4-9,12,19-20,28H,10-11H2,1-3H3,(H,26,29).
What are the key properties of 2-[4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-N-(4-cyano-2-fluorophenyl)-2-hydroxyacetamide?
2-[4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-N-(4-cyano-2-fluorophenyl)-2-hydroxyacetamide has a molecular weight of 425.46 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-N-(4-cyano-2-fluorophenyl)-2-hydroxyacetamide is sourced from PubChem (CID 77243074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).