3-(4-morpholin-4-ylanilino)-1-propan-2-ylpyrrolidine-2,5-dione

C17H23N3O3 — CID 2948245

IUPAC3-(4-morpholin-4-ylanilino)-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)N1C(=O)CC(Nc2ccc(N3CCOCC3)cc2)C1=O
InChIInChI=1S/C17H23N3O3/c1-12(2)20-16(21)11-15(17(20)22)18-13-3-5-14(6-4-13)19-7-9-23-10-8-19/h3-6,12,15,18H,7-11H2,1-2H3
InChIKeyFXXVGPJUFBEBEC-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.47
Rot. Bonds4

About 3-(4-morpholin-4-ylanilino)-1-propan-2-ylpyrrolidine-2,5-dione

3-(4-morpholin-4-ylanilino)-1-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 2948245) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-(4-morpholin-4-ylanilino)-1-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-morpholin-4-ylanilino)-1-propan-2-ylpyrrolidine-2,5-dione
PubChem CID2948245
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name3-(4-morpholin-4-ylanilino)-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)N1C(=O)CC(Nc2ccc(N3CCOCC3)cc2)C1=O
InChIInChI=1S/C17H23N3O3/c1-12(2)20-16(21)11-15(17(20)22)18-13-3-5-14(6-4-13)19-7-9-23-10-8-19/h3-6,12,15,18H,7-11H2,1-2H3
InChIKeyFXXVGPJUFBEBEC-UHFFFAOYSA-N
XLogP1.47
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-morpholin-4-ylanilino)-1-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-(4-morpholin-4-ylanilino)-1-propan-2-ylpyrrolidine-2,5-dione (CID 2948245) is 3-(4-morpholin-4-ylanilino)-1-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-morpholin-4-ylanilino)-1-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-morpholin-4-ylanilino)-1-propan-2-ylpyrrolidine-2,5-dione is CC(C)N1C(=O)CC(Nc2ccc(N3CCOCC3)cc2)C1=O.
What is the InChIKey of 3-(4-morpholin-4-ylanilino)-1-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is FXXVGPJUFBEBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-12(2)20-16(21)11-15(17(20)22)18-13-3-5-14(6-4-13)19-7-9-23-10-8-19/h3-6,12,15,18H,7-11H2,1-2H3.
What are the key properties of 3-(4-morpholin-4-ylanilino)-1-propan-2-ylpyrrolidine-2,5-dione?
3-(4-morpholin-4-ylanilino)-1-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 317.39 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-morpholin-4-ylanilino)-1-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 2948245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).