1-(2-tert-butylphenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

C23H28N2O2 — CID 113187153

IUPAC1-(2-tert-butylphenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccccc1NC(=O)C1CC(=O)N(c2ccccc2C(C)(C)C)C1
InChIInChI=1S/C23H28N2O2/c1-5-16-10-6-8-12-19(16)24-22(27)17-14-21(26)25(15-17)20-13-9-7-11-18(20)23(2,3)4/h6-13,17H,5,14-15H2,1-4H3,(H,24,27)
InChIKeyYGWCGQMRDONLES-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.54
Rot. Bonds4

About 1-(2-tert-butylphenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

1-(2-tert-butylphenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 113187153) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-tert-butylphenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID113187153
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name1-(2-tert-butylphenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccccc1NC(=O)C1CC(=O)N(c2ccccc2C(C)(C)C)C1
InChIInChI=1S/C23H28N2O2/c1-5-16-10-6-8-12-19(16)24-22(27)17-14-21(26)25(15-17)20-13-9-7-11-18(20)23(2,3)4/h6-13,17H,5,14-15H2,1-4H3,(H,24,27)
InChIKeyYGWCGQMRDONLES-UHFFFAOYSA-N
XLogP4.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-tert-butylphenyl)-N-(2-ethylphenyl)-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-ethylphenyl)-5-oxo-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 45020940
1-(2,3-dichlorophenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 84916579
1-(2-tert-butylphenyl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187147
(3R)-1-(3-chloro-2-methylphenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056272
(3R)-1-(2-ethylphenyl)-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9004571
(3S)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8839338
1-(2-tert-butylphenyl)-N-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187183
(3R)-1-(2-ethylphenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004579
N-(2-tert-butylphenyl)-1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187522
N-(2,6-diethylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186319
1-(2-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 51148262
(3R)-N-(4-bromo-2-ethylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004583

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylphenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-tert-butylphenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 113187153) is 1-(2-tert-butylphenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-tert-butylphenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-tert-butylphenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is CCc1ccccc1NC(=O)C1CC(=O)N(c2ccccc2C(C)(C)C)C1.
What is the InChIKey of 1-(2-tert-butylphenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YGWCGQMRDONLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-5-16-10-6-8-12-19(16)24-22(27)17-14-21(26)25(15-17)20-13-9-7-11-18(20)23(2,3)4/h6-13,17H,5,14-15H2,1-4H3,(H,24,27).
What are the key properties of 1-(2-tert-butylphenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
1-(2-tert-butylphenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylphenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113187153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).