3-anilino-1-(4-morpholin-4-ylphenyl)pyrrolidine-2,5-dione

C20H21N3O3 — CID 2883916

IUPAC3-anilino-1-(4-morpholin-4-ylphenyl)pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ccccc2)C(=O)N1c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H21N3O3/c24-19-14-18(21-15-4-2-1-3-5-15)20(25)23(19)17-8-6-16(7-9-17)22-10-12-26-13-11-22/h1-9,18,21H,10-14H2
InChIKeyDTCBCHVQCKOSRL-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.27
Rot. Bonds4

About 3-anilino-1-(4-morpholin-4-ylphenyl)pyrrolidine-2,5-dione

3-anilino-1-(4-morpholin-4-ylphenyl)pyrrolidine-2,5-dione (PubChem CID 2883916) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-anilino-1-(4-morpholin-4-ylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-anilino-1-(4-morpholin-4-ylphenyl)pyrrolidine-2,5-dione
PubChem CID2883916
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name3-anilino-1-(4-morpholin-4-ylphenyl)pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ccccc2)C(=O)N1c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H21N3O3/c24-19-14-18(21-15-4-2-1-3-5-15)20(25)23(19)17-8-6-16(7-9-17)22-10-12-26-13-11-22/h1-9,18,21H,10-14H2
InChIKeyDTCBCHVQCKOSRL-UHFFFAOYSA-N
XLogP2.27
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.27
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-anilino-1-(4-morpholin-4-ylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-anilino-1-(4-morpholin-4-ylphenyl)pyrrolidine-2,5-dione (CID 2883916) is 3-anilino-1-(4-morpholin-4-ylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-anilino-1-(4-morpholin-4-ylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-anilino-1-(4-morpholin-4-ylphenyl)pyrrolidine-2,5-dione is O=C1CC(Nc2ccccc2)C(=O)N1c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 3-anilino-1-(4-morpholin-4-ylphenyl)pyrrolidine-2,5-dione?
The InChIKey is DTCBCHVQCKOSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c24-19-14-18(21-15-4-2-1-3-5-15)20(25)23(19)17-8-6-16(7-9-17)22-10-12-26-13-11-22/h1-9,18,21H,10-14H2.
What are the key properties of 3-anilino-1-(4-morpholin-4-ylphenyl)pyrrolidine-2,5-dione?
3-anilino-1-(4-morpholin-4-ylphenyl)pyrrolidine-2,5-dione has a molecular weight of 351.41 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-1-(4-morpholin-4-ylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2883916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).