1-(N-methylanilino)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

C21H25N3O2 — CID 44764194

IUPAC1-(N-methylanilino)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(CCNC(=O)C2CC(=O)N(N(C)c3ccccc3)C2)cc1
InChIInChI=1S/C21H25N3O2/c1-16-8-10-17(11-9-16)12-13-22-21(26)18-14-20(25)24(15-18)23(2)19-6-4-3-5-7-19/h3-11,18H,12-15H2,1-2H3,(H,22,26)
InChIKeyOUDVFEZSXTXBPK-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.55
Rot. Bonds6

About 1-(N-methylanilino)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

1-(N-methylanilino)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 44764194) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-(N-methylanilino)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(N-methylanilino)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID44764194
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name1-(N-methylanilino)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(CCNC(=O)C2CC(=O)N(N(C)c3ccccc3)C2)cc1
InChIInChI=1S/C21H25N3O2/c1-16-8-10-17(11-9-16)12-13-22-21(26)18-14-20(25)24(15-18)23(2)19-6-4-3-5-7-19/h3-11,18H,12-15H2,1-2H3,(H,22,26)
InChIKeyOUDVFEZSXTXBPK-UHFFFAOYSA-N
XLogP2.55
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(N-methylanilino)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-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

1-(2,5-dimethylphenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 17151811
N-[4-(4-methylphenyl)butyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 110627914
5-oxo-N-(2-phenylethyl)-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 113186747
1-(N-methylanilino)-N-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 44764122
1-(3,5-dimethylphenyl)-N-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 17120911
1-(2,6-dimethylphenyl)-N-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113186220
N-[2-(4-fluorophenyl)ethyl]-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120668
(3R)-1-ethyl-N-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 94088856
(3S)-N-[2-(4-fluorophenyl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9401620
(3R)-1-tert-butyl-N-[2-[4-(dimethylamino)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 97118651
1-(2-methylpropyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 46109453
N-(4-tert-butylcyclohexyl)-1-(N-methylanilino)-5-oxopyrrolidine-3-carboxamide
CID 44764167

Frequently Asked Questions

What is the IUPAC name of 1-(N-methylanilino)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(N-methylanilino)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 44764194) is 1-(N-methylanilino)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(N-methylanilino)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(N-methylanilino)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc(CCNC(=O)C2CC(=O)N(N(C)c3ccccc3)C2)cc1.
What is the InChIKey of 1-(N-methylanilino)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OUDVFEZSXTXBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-16-8-10-17(11-9-16)12-13-22-21(26)18-14-20(25)24(15-18)23(2)19-6-4-3-5-7-19/h3-11,18H,12-15H2,1-2H3,(H,22,26).
What are the key properties of 1-(N-methylanilino)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
1-(N-methylanilino)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-methylanilino)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 44764194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).