1-(3,4-dimethylphenyl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide

C23H27N3O3 — CID 2957932

IUPAC1-(3,4-dimethylphenyl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)Nc3ccc(N4CCOCC4)cc3)CC2=O)cc1C
InChIInChI=1S/C23H27N3O3/c1-16-3-6-21(13-17(16)2)26-15-18(14-22(26)27)23(28)24-19-4-7-20(8-5-19)25-9-11-29-12-10-25/h3-8,13,18H,9-12,14-15H2,1-2H3,(H,24,28)
InChIKeyJHJDVTMHNHTVFM-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.13
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide

1-(3,4-dimethylphenyl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 2957932) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID2957932
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name1-(3,4-dimethylphenyl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)Nc3ccc(N4CCOCC4)cc3)CC2=O)cc1C
InChIInChI=1S/C23H27N3O3/c1-16-3-6-21(13-17(16)2)26-15-18(14-22(26)27)23(28)24-19-4-7-20(8-5-19)25-9-11-29-12-10-25/h3-8,13,18H,9-12,14-15H2,1-2H3,(H,24,28)
InChIKeyJHJDVTMHNHTVFM-UHFFFAOYSA-N
XLogP3.13
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3,4-dimethylphenyl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 2957932) is 1-(3,4-dimethylphenyl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)Nc3ccc(N4CCOCC4)cc3)CC2=O)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JHJDVTMHNHTVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-16-3-6-21(13-17(16)2)26-15-18(14-22(26)27)23(28)24-19-4-7-20(8-5-19)25-9-11-29-12-10-25/h3-8,13,18H,9-12,14-15H2,1-2H3,(H,24,28).
What are the key properties of 1-(3,4-dimethylphenyl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
1-(3,4-dimethylphenyl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 2957932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).