N-(3-acetamidophenyl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide

C22H25N3O3 — CID 113186815

IUPACN-(3-acetamidophenyl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2CC(=O)N(c3c(C)cc(C)cc3C)C2)c1
InChIInChI=1S/C22H25N3O3/c1-13-8-14(2)21(15(3)9-13)25-12-17(10-20(25)27)22(28)24-19-7-5-6-18(11-19)23-16(4)26/h5-9,11,17H,10,12H2,1-4H3,(H,23,26)(H,24,28)
InChIKeyXOTVXOBFVOPQKS-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.56
Rot. Bonds4

About N-(3-acetamidophenyl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide

N-(3-acetamidophenyl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide (PubChem CID 113186815) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
PubChem CID113186815
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-(3-acetamidophenyl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2CC(=O)N(c3c(C)cc(C)cc3C)C2)c1
InChIInChI=1S/C22H25N3O3/c1-13-8-14(2)21(15(3)9-13)25-12-17(10-20(25)27)22(28)24-19-7-5-6-18(11-19)23-16(4)26/h5-9,11,17H,10,12H2,1-4H3,(H,23,26)(H,24,28)
InChIKeyXOTVXOBFVOPQKS-UHFFFAOYSA-N
XLogP3.56
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-acetamidophenyl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

(3S)-1-(2,6-dimethylphenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124523127
N,1-bis(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113189064
(3S)-N-(3-acetamidophenyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7438889
N-(3-acetamidophenyl)-1-(4-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120079
1-(2-chloro-4,6-dimethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113187924
(3S)-1-(3-acetamidophenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727129
1-(2,6-dimethylphenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3160156
1-(2-chloro-4,6-dimethylphenyl)-N-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187973
N-(3-acetamidophenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17080885
N-(3-chloro-4-fluorophenyl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 113186795
methyl 4-[[5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carbonyl]amino]benzoate
CID 113186819
(3S)-N-(4-acetamidophenyl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7220413

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide (CID 113186815) is N-(3-acetamidophenyl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide is CC(=O)Nc1cccc(NC(=O)C2CC(=O)N(c3c(C)cc(C)cc3C)C2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is XOTVXOBFVOPQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-13-8-14(2)21(15(3)9-13)25-12-17(10-20(25)27)22(28)24-19-7-5-6-18(11-19)23-16(4)26/h5-9,11,17H,10,12H2,1-4H3,(H,23,26)(H,24,28).
What are the key properties of N-(3-acetamidophenyl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide?
N-(3-acetamidophenyl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 113186815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).