(3S)-1-[4-[2-(4-ethylanilino)-2-oxoethoxy]phenyl]-5-oxo-N-propylpyrrolidine-3-carboxamide

C24H29N3O4 — CID 126130235

IUPAC(3S)-1-[4-[2-(4-ethylanilino)-2-oxoethoxy]phenyl]-5-oxo-N-propylpyrrolidine-3-carboxamide
SMILESCCCNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(CC)cc3)cc2)C1
InChIInChI=1S/C24H29N3O4/c1-3-13-25-24(30)18-14-23(29)27(15-18)20-9-11-21(12-10-20)31-16-22(28)26-19-7-5-17(4-2)6-8-19/h5-12,18H,3-4,13-16H2,1-2H3,(H,25,30)(H,26,28)/t18-/m0/s1
InChIKeyFXBGIAFAMWDLMC-SFHVURJKSA-N
MW423.51 g/mol
LogP3.15
Rot. Bonds9

About (3S)-1-[4-[2-(4-ethylanilino)-2-oxoethoxy]phenyl]-5-oxo-N-propylpyrrolidine-3-carboxamide

(3S)-1-[4-[2-(4-ethylanilino)-2-oxoethoxy]phenyl]-5-oxo-N-propylpyrrolidine-3-carboxamide (PubChem CID 126130235) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is (3S)-1-[4-[2-(4-ethylanilino)-2-oxoethoxy]phenyl]-5-oxo-N-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[4-[2-(4-ethylanilino)-2-oxoethoxy]phenyl]-5-oxo-N-propylpyrrolidine-3-carboxamide
PubChem CID126130235
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name(3S)-1-[4-[2-(4-ethylanilino)-2-oxoethoxy]phenyl]-5-oxo-N-propylpyrrolidine-3-carboxamide
SMILESCCCNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(CC)cc3)cc2)C1
InChIInChI=1S/C24H29N3O4/c1-3-13-25-24(30)18-14-23(29)27(15-18)20-9-11-21(12-10-20)31-16-22(28)26-19-7-5-17(4-2)6-8-19/h5-12,18H,3-4,13-16H2,1-2H3,(H,25,30)(H,26,28)/t18-/m0/s1
InChIKeyFXBGIAFAMWDLMC-SFHVURJKSA-N
XLogP3.15
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-1-[4-[2-(4-ethylanilino)-2-oxoethoxy]phenyl]-5-oxo-N-propylpyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[2-(3,5-dimethylanilino)-2-oxoethoxy]phenyl]-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 3154408
1-[4-[2-(4-bromo-3-methylanilino)-2-oxoethoxy]phenyl]-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 23855552
(3S)-1-[4-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethoxy]phenyl]-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 126169372
(3R)-1-[4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 126160735
(3S)-1-[4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 126159725
(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)-5-oxo-1-[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]-N-propylpyrrolidine-3-carboxamide
CID 126165123
(3R)-1-[4-[2-(2,3-dichloroanilino)-2-oxoethoxy]phenyl]-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 124631144
(3S)-N-[(4-methoxyphenyl)methyl]-1-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 40976965
(3S)-1-[4-[2-(4-bromo-2,6-dimethylanilino)-2-oxoethoxy]phenyl]-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 126131092
(3S)-1-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 40976967

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[4-[2-(4-ethylanilino)-2-oxoethoxy]phenyl]-5-oxo-N-propylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-[4-[2-(4-ethylanilino)-2-oxoethoxy]phenyl]-5-oxo-N-propylpyrrolidine-3-carboxamide (CID 126130235) is (3S)-1-[4-[2-(4-ethylanilino)-2-oxoethoxy]phenyl]-5-oxo-N-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[4-[2-(4-ethylanilino)-2-oxoethoxy]phenyl]-5-oxo-N-propylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-[4-[2-(4-ethylanilino)-2-oxoethoxy]phenyl]-5-oxo-N-propylpyrrolidine-3-carboxamide is CCCNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(CC)cc3)cc2)C1.
What is the InChIKey of (3S)-1-[4-[2-(4-ethylanilino)-2-oxoethoxy]phenyl]-5-oxo-N-propylpyrrolidine-3-carboxamide?
The InChIKey is FXBGIAFAMWDLMC-SFHVURJKSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-3-13-25-24(30)18-14-23(29)27(15-18)20-9-11-21(12-10-20)31-16-22(28)26-19-7-5-17(4-2)6-8-19/h5-12,18H,3-4,13-16H2,1-2H3,(H,25,30)(H,26,28)/t18-/m0/s1.
What are the key properties of (3S)-1-[4-[2-(4-ethylanilino)-2-oxoethoxy]phenyl]-5-oxo-N-propylpyrrolidine-3-carboxamide?
(3S)-1-[4-[2-(4-ethylanilino)-2-oxoethoxy]phenyl]-5-oxo-N-propylpyrrolidine-3-carboxamide has a molecular weight of 423.51 g/mol, XLogP of 3.15, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[4-[2-(4-ethylanilino)-2-oxoethoxy]phenyl]-5-oxo-N-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 126130235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).