(3R)-N-(3-cyanophenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C20H19N3O3 — CID 9245448

IUPAC(3R)-N-(3-cyanophenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccccc1N1C[C@H](C(=O)Nc2cccc(C#N)c2)CC1=O
InChIInChI=1S/C20H19N3O3/c1-2-26-18-9-4-3-8-17(18)23-13-15(11-19(23)24)20(25)22-16-7-5-6-14(10-16)12-21/h3-10,15H,2,11,13H2,1H3,(H,22,25)/t15-/m1/s1
InChIKeyOUXDARKEGJJUKD-OAHLLOKOSA-N
MW349.39 g/mol
LogP2.95
Rot. Bonds5

About (3R)-N-(3-cyanophenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-(3-cyanophenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 9245448) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is (3R)-N-(3-cyanophenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-cyanophenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID9245448
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name(3R)-N-(3-cyanophenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccccc1N1C[C@H](C(=O)Nc2cccc(C#N)c2)CC1=O
InChIInChI=1S/C20H19N3O3/c1-2-26-18-9-4-3-8-17(18)23-13-15(11-19(23)24)20(25)22-16-7-5-6-14(10-16)12-21/h3-10,15H,2,11,13H2,1H3,(H,22,25)/t15-/m1/s1
InChIKeyOUXDARKEGJJUKD-OAHLLOKOSA-N
XLogP2.95
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18886180
1-(2-ethoxyphenyl)-N-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18886195
(3R)-1-(2-ethoxyphenyl)-5-oxo-N-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 9412968
(3S)-1-(2-ethoxyphenyl)-5-oxo-N-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 9412970
(3R)-1-(2-ethoxyphenyl)-5-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 41094134
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55711048
N-(4-cyanophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51157698
(3S)-1-(2-ethoxyphenyl)-5-oxo-N-quinolin-3-ylpyrrolidine-3-carboxamide
CID 32838691
1-(2-ethoxyphenyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55722592
1-(2-ethoxyphenyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 86928018
1-(2-ethoxyphenyl)-N-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18886193
(3R)-1-(2-ethoxyphenyl)-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 26087224

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-cyanophenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(3-cyanophenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 9245448) is (3R)-N-(3-cyanophenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(3-cyanophenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(3-cyanophenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is CCOc1ccccc1N1C[C@H](C(=O)Nc2cccc(C#N)c2)CC1=O.
What is the InChIKey of (3R)-N-(3-cyanophenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OUXDARKEGJJUKD-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-2-26-18-9-4-3-8-17(18)23-13-15(11-19(23)24)20(25)22-16-7-5-6-14(10-16)12-21/h3-10,15H,2,11,13H2,1H3,(H,22,25)/t15-/m1/s1.
What are the key properties of (3R)-N-(3-cyanophenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-(3-cyanophenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-cyanophenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9245448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).