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

C20H19N3O2 — CID 3620424

IUPACN-(4-cyanophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)Nc3ccc(C#N)cc3)CC2=O)cc1
InChIInChI=1S/C20H19N3O2/c1-2-14-5-9-18(10-6-14)23-13-16(11-19(23)24)20(25)22-17-7-3-15(12-21)4-8-17/h3-10,16H,2,11,13H2,1H3,(H,22,25)
InChIKeyLXZJDIXDMLRGSN-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.11
Rot. Bonds4

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

N-(4-cyanophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 3620424) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(4-cyanophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID3620424
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-(4-cyanophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)Nc3ccc(C#N)cc3)CC2=O)cc1
InChIInChI=1S/C20H19N3O2/c1-2-14-5-9-18(10-6-14)23-13-16(11-19(23)24)20(25)22-17-7-3-15(12-21)4-8-17/h3-10,16H,2,11,13H2,1H3,(H,22,25)
InChIKeyLXZJDIXDMLRGSN-UHFFFAOYSA-N
XLogP3.11
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[4-[(4-cyanophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113190637
ethyl 4-[[1-(4-cyanophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113192053
(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-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 3116947
(3S)-1-(4-ethoxyphenyl)-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 988212
(3R)-1-(4-ethoxyphenyl)-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 988215
N-(4-butylphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3107620
1-[4-(dimethylamino)phenyl]-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113189650
N-(4-cyanophenyl)-1-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186937
(3R)-1-(3,5-dimethylphenyl)-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9005233
(3S)-N-[4-(cyanomethyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9260437

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 3620424) is N-(4-cyanophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is CCc1ccc(N2CC(C(=O)Nc3ccc(C#N)cc3)CC2=O)cc1.
What is the InChIKey of N-(4-cyanophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LXZJDIXDMLRGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-2-14-5-9-18(10-6-14)23-13-16(11-19(23)24)20(25)22-17-7-3-15(12-21)4-8-17/h3-10,16H,2,11,13H2,1H3,(H,22,25).
What are the key properties of N-(4-cyanophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(4-cyanophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3620424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).