1-(2-tert-butylphenyl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

C23H28N2O2 — CID 113187147

IUPAC1-(2-tert-butylphenyl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CC(=O)N(c3ccccc3C(C)(C)C)C2)c(C)c1
InChIInChI=1S/C23H28N2O2/c1-15-10-11-19(16(2)12-15)24-22(27)17-13-21(26)25(14-17)20-9-7-6-8-18(20)23(3,4)5/h6-12,17H,13-14H2,1-5H3,(H,24,27)
InChIKeyAGHXPQNTILPFBC-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.59
Rot. Bonds3

About 1-(2-tert-butylphenyl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

1-(2-tert-butylphenyl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 113187147) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-tert-butylphenyl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID113187147
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name1-(2-tert-butylphenyl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CC(=O)N(c3ccccc3C(C)(C)C)C2)c(C)c1
InChIInChI=1S/C23H28N2O2/c1-15-10-11-19(16(2)12-15)24-22(27)17-13-21(26)25(14-17)20-9-7-6-8-18(20)23(3,4)5/h6-12,17H,13-14H2,1-5H3,(H,24,27)
InChIKeyAGHXPQNTILPFBC-UHFFFAOYSA-N
XLogP4.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-(3-chloro-2-methylphenyl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056249
1-(2-tert-butylphenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187153
1-(2-tert-butylphenyl)-N-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187183
N-(2-tert-butylphenyl)-1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187522
N-(4-chloro-2-methylphenyl)-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186061
(3S)-N-(2,4-dimethylphenyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 847984
(3R)-N-(2-methoxy-5-methylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9098300
N-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2883840
(3R)-N-(4-chloro-2-methylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8780130
1-(3-acetylphenyl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188811
(3S)-1-(2,4-dimethylphenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056213
N-(2-tert-butylphenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42904433

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylphenyl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-tert-butylphenyl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 113187147) is 1-(2-tert-butylphenyl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-tert-butylphenyl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-tert-butylphenyl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(NC(=O)C2CC(=O)N(c3ccccc3C(C)(C)C)C2)c(C)c1.
What is the InChIKey of 1-(2-tert-butylphenyl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AGHXPQNTILPFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-15-10-11-19(16(2)12-15)24-22(27)17-13-21(26)25(14-17)20-9-7-6-8-18(20)23(3,4)5/h6-12,17H,13-14H2,1-5H3,(H,24,27).
What are the key properties of 1-(2-tert-butylphenyl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
1-(2-tert-butylphenyl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 4.59, 3 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-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113187147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).