1-benzyl-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione

C21H23N3O3 — CID 2861706

IUPAC1-benzyl-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ccc(N3CCOCC3)cc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C21H23N3O3/c25-20-14-19(21(26)24(20)15-16-4-2-1-3-5-16)22-17-6-8-18(9-7-17)23-10-12-27-13-11-23/h1-9,19,22H,10-15H2
InChIKeyGNMKEYURHSBEDV-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.26
Rot. Bonds5

About 1-benzyl-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione

1-benzyl-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione (PubChem CID 2861706) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-benzyl-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
PubChem CID2861706
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name1-benzyl-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ccc(N3CCOCC3)cc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C21H23N3O3/c25-20-14-19(21(26)24(20)15-16-4-2-1-3-5-16)22-17-6-8-18(9-7-17)23-10-12-27-13-11-23/h1-9,19,22H,10-15H2
InChIKeyGNMKEYURHSBEDV-UHFFFAOYSA-N
XLogP2.26
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.26
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 1-benzyl-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione?
The IUPAC name of 1-benzyl-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione (CID 2861706) is 1-benzyl-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-benzyl-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-benzyl-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione is O=C1CC(Nc2ccc(N3CCOCC3)cc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione?
The InChIKey is GNMKEYURHSBEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c25-20-14-19(21(26)24(20)15-16-4-2-1-3-5-16)22-17-6-8-18(9-7-17)23-10-12-27-13-11-23/h1-9,19,22H,10-15H2.
What are the key properties of 1-benzyl-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione?
1-benzyl-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione has a molecular weight of 365.43 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 2861706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).