1-(4-ethoxyphenyl)-5-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide

C23H25N3O4 — CID 17498477

IUPAC1-(4-ethoxyphenyl)-5-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide
SMILESCCOc1ccc(N2CC(C(=O)Nc3ccc(N4CCCC4=O)cc3)CC2=O)cc1
InChIInChI=1S/C23H25N3O4/c1-2-30-20-11-9-19(10-12-20)26-15-16(14-22(26)28)23(29)24-17-5-7-18(8-6-17)25-13-3-4-21(25)27/h5-12,16H,2-4,13-15H2,1H3,(H,24,29)
InChIKeyZNASKEYJCOGBAN-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.20
Rot. Bonds6

About 1-(4-ethoxyphenyl)-5-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide

1-(4-ethoxyphenyl)-5-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 17498477) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-5-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-5-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide
PubChem CID17498477
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name1-(4-ethoxyphenyl)-5-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide
SMILESCCOc1ccc(N2CC(C(=O)Nc3ccc(N4CCCC4=O)cc3)CC2=O)cc1
InChIInChI=1S/C23H25N3O4/c1-2-30-20-11-9-19(10-12-20)26-15-16(14-22(26)28)23(29)24-17-5-7-18(8-6-17)25-13-3-4-21(25)27/h5-12,16H,2-4,13-15H2,1H3,(H,24,29)
InChIKeyZNASKEYJCOGBAN-UHFFFAOYSA-N
XLogP3.20
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3342359
(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
(3S)-N-(4-ethoxyphenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 7325492
N-(4-ethoxyphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 3693269
(3R)-1-(4-ethoxyphenyl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1006945
(3S)-N-(3-chloro-4-methylphenyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1330971
(3R)-1-(4-ethoxyphenyl)-N-naphthalen-2-yl-5-oxopyrrolidine-3-carboxamide
CID 1088301
(3R)-1-(4-ethoxyphenyl)-N-[4-(ethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 41002488
(3R)-N-[4-(diethylsulfamoyl)phenyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40964253
(3R)-1-(4-ethoxyphenyl)-5-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 40783780
N-[4-(cyclohexylsulfamoyl)phenyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6494535

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-5-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-ethoxyphenyl)-5-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide (CID 17498477) is 1-(4-ethoxyphenyl)-5-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-ethoxyphenyl)-5-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-ethoxyphenyl)-5-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide is CCOc1ccc(N2CC(C(=O)Nc3ccc(N4CCCC4=O)cc3)CC2=O)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-5-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is ZNASKEYJCOGBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-2-30-20-11-9-19(10-12-20)26-15-16(14-22(26)28)23(29)24-17-5-7-18(8-6-17)25-13-3-4-21(25)27/h5-12,16H,2-4,13-15H2,1H3,(H,24,29).
What are the key properties of 1-(4-ethoxyphenyl)-5-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide?
1-(4-ethoxyphenyl)-5-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-5-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 17498477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).