1-(4-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide

C19H20N2O2 — CID 3116947

IUPAC1-(4-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)Nc3ccccc3)CC2=O)cc1
InChIInChI=1S/C19H20N2O2/c1-2-14-8-10-17(11-9-14)21-13-15(12-18(21)22)19(23)20-16-6-4-3-5-7-16/h3-11,15H,2,12-13H2,1H3,(H,20,23)
InChIKeyHRAUMMURFDEOMO-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.24
Rot. Bonds4

About 1-(4-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide

1-(4-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide (PubChem CID 3116947) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
PubChem CID3116947
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name1-(4-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)Nc3ccccc3)CC2=O)cc1
InChIInChI=1S/C19H20N2O2/c1-2-14-8-10-17(11-9-14)21-13-15(12-18(21)22)19(23)20-16-6-4-3-5-7-16/h3-11,15H,2,12-13H2,1H3,(H,20,23)
InChIKeyHRAUMMURFDEOMO-UHFFFAOYSA-N
XLogP3.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-(3-ethylphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7935157
(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)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3155517
N-(3-ethylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 46687180
N-(3-bromophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 4667771
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
(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-cyanophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3620424
N-(3,5-dichlorophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17081984

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide (CID 3116947) is 1-(4-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide is CCc1ccc(N2CC(C(=O)Nc3ccccc3)CC2=O)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The InChIKey is HRAUMMURFDEOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-2-14-8-10-17(11-9-14)21-13-15(12-18(21)22)19(23)20-16-6-4-3-5-7-16/h3-11,15H,2,12-13H2,1H3,(H,20,23).
What are the key properties of 1-(4-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide?
1-(4-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 3116947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).