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

C20H27N3O3 — CID 2947183

IUPAC1-cyclohexyl-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ccc(N3CCOCC3)cc2)C(=O)N1C1CCCCC1
InChIInChI=1S/C20H27N3O3/c24-19-14-18(20(25)23(19)17-4-2-1-3-5-17)21-15-6-8-16(9-7-15)22-10-12-26-13-11-22/h6-9,17-18,21H,1-5,10-14H2
InChIKeyDSMQPIRLSPLZJU-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.40
Rot. Bonds4

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

1-cyclohexyl-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione (PubChem CID 2947183) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 1-cyclohexyl-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cyclohexyl-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
PubChem CID2947183
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name1-cyclohexyl-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ccc(N3CCOCC3)cc2)C(=O)N1C1CCCCC1
InChIInChI=1S/C20H27N3O3/c24-19-14-18(20(25)23(19)17-4-2-1-3-5-17)21-15-6-8-16(9-7-15)22-10-12-26-13-11-22/h6-9,17-18,21H,1-5,10-14H2
InChIKeyDSMQPIRLSPLZJU-UHFFFAOYSA-N
XLogP2.40
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.40
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'}

Analyze 1-cyclohexyl-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione?
The IUPAC name of 1-cyclohexyl-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione (CID 2947183) is 1-cyclohexyl-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-cyclohexyl-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-cyclohexyl-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione is O=C1CC(Nc2ccc(N3CCOCC3)cc2)C(=O)N1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione?
The InChIKey is DSMQPIRLSPLZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c24-19-14-18(20(25)23(19)17-4-2-1-3-5-17)21-15-6-8-16(9-7-15)22-10-12-26-13-11-22/h6-9,17-18,21H,1-5,10-14H2.
What are the key properties of 1-cyclohexyl-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione?
1-cyclohexyl-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione has a molecular weight of 357.45 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 2947183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).