N-[4-(dimethylamino)phenyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

C21H25N3O2 — CID 612869

IUPACN-[4-(dimethylamino)phenyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)Nc3ccc(N(C)C)cc3)CC2=O)cc1C
InChIInChI=1S/C21H25N3O2/c1-14-5-8-19(11-15(14)2)24-13-16(12-20(24)25)21(26)22-17-6-9-18(10-7-17)23(3)4/h5-11,16H,12-13H2,1-4H3,(H,22,26)
InChIKeyZJHKMZCCWVSSMH-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.36
Rot. Bonds4

About N-[4-(dimethylamino)phenyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

N-[4-(dimethylamino)phenyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 612869) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID612869
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[4-(dimethylamino)phenyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)Nc3ccc(N(C)C)cc3)CC2=O)cc1C
InChIInChI=1S/C21H25N3O2/c1-14-5-8-19(11-15(14)2)24-13-16(12-20(24)25)21(26)22-17-6-9-18(10-7-17)23(3)4/h5-11,16H,12-13H2,1-4H3,(H,22,26)
InChIKeyZJHKMZCCWVSSMH-UHFFFAOYSA-N
XLogP3.36
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-[4-(dimethylamino)phenyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 612869) is N-[4-(dimethylamino)phenyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)Nc3ccc(N(C)C)cc3)CC2=O)cc1C.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZJHKMZCCWVSSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-14-5-8-19(11-15(14)2)24-13-16(12-20(24)25)21(26)22-17-6-9-18(10-7-17)23(3)4/h5-11,16H,12-13H2,1-4H3,(H,22,26).
What are the key properties of N-[4-(dimethylamino)phenyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[4-(dimethylamino)phenyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 612869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).