N-(4-butylphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

C23H28N2O2 — CID 3107620

IUPACN-(4-butylphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCc1ccc(NC(=O)C2CC(=O)N(c3ccc(CC)cc3)C2)cc1
InChIInChI=1S/C23H28N2O2/c1-3-5-6-18-7-11-20(12-8-18)24-23(27)19-15-22(26)25(16-19)21-13-9-17(4-2)10-14-21/h7-14,19H,3-6,15-16H2,1-2H3,(H,24,27)
InChIKeyYLMFXORTYASMCC-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.58
Rot. Bonds7

About N-(4-butylphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

N-(4-butylphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 3107620) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-(4-butylphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID3107620
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC NameN-(4-butylphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCc1ccc(NC(=O)C2CC(=O)N(c3ccc(CC)cc3)C2)cc1
InChIInChI=1S/C23H28N2O2/c1-3-5-6-18-7-11-20(12-8-18)24-23(27)19-15-22(26)25(16-19)21-13-9-17(4-2)10-14-21/h7-14,19H,3-6,15-16H2,1-2H3,(H,24,27)
InChIKeyYLMFXORTYASMCC-UHFFFAOYSA-N
XLogP4.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-(4-ethylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 739797
(3R)-1-(4-ethylphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 680412
1-(4-butylphenyl)-N-(3,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 23905377
1-(4-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 3116947
1-(4-butylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47160631
1-[4-(dimethylamino)phenyl]-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113189650
1-(1,3-benzodioxol-5-yl)-N-(4-butylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108791224
(3S)-1-(4-ethoxyphenyl)-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 988212
N-(4-cyanophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3620424
(3R)-1-(4-ethoxyphenyl)-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 988215
N-(4-butylphenyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55569865
(3R)-1-(3,5-dimethylphenyl)-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9005233

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(4-butylphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 3107620) is N-(4-butylphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-butylphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-butylphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is CCCCc1ccc(NC(=O)C2CC(=O)N(c3ccc(CC)cc3)C2)cc1.
What is the InChIKey of N-(4-butylphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YLMFXORTYASMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-3-5-6-18-7-11-20(12-8-18)24-23(27)19-15-22(26)25(16-19)21-13-9-17(4-2)10-14-21/h7-14,19H,3-6,15-16H2,1-2H3,(H,24,27).
What are the key properties of N-(4-butylphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(4-butylphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3107620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).