(3R)-1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-N-ethyl-5-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrrolidine-3-carboxamide

C24H32F3N3O3 — CID 124741327

IUPAC(3R)-1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-N-ethyl-5-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrrolidine-3-carboxamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)[C@@H]1CC(=O)N([C@@H]2CCC[C@@H](C)[C@H]2C)C1
InChIInChI=1S/C24H32F3N3O3/c1-4-29(14-21(31)28-19-10-6-5-9-18(19)24(25,26)27)23(33)17-12-22(32)30(13-17)20-11-7-8-15(2)16(20)3/h5-6,9-10,15-17,20H,4,7-8,11-14H2,1-3H3,(H,28,31)/t15-,16-,17-,20-/m1/s1
InChIKeyWEEDSZVYOCGKOT-WOCWXWTJSA-N
MW467.53 g/mol
LogP4.17
Rot. Bonds6

About (3R)-1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-N-ethyl-5-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrrolidine-3-carboxamide

(3R)-1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-N-ethyl-5-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrrolidine-3-carboxamide (PubChem CID 124741327) has the molecular formula C24H32F3N3O3 and a molecular weight of 467.53 g/mol. Its IUPAC name is (3R)-1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-N-ethyl-5-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-N-ethyl-5-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrrolidine-3-carboxamide
PubChem CID124741327
Molecular FormulaC24H32F3N3O3
Molecular Weight467.53 g/mol
Exact Mass467.24
IUPAC Name(3R)-1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-N-ethyl-5-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrrolidine-3-carboxamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)[C@@H]1CC(=O)N([C@@H]2CCC[C@@H](C)[C@H]2C)C1
InChIInChI=1S/C24H32F3N3O3/c1-4-29(14-21(31)28-19-10-6-5-9-18(19)24(25,26)27)23(33)17-12-22(32)30(13-17)20-11-7-8-15(2)16(20)3/h5-6,9-10,15-17,20H,4,7-8,11-14H2,1-3H3,(H,28,31)/t15-,16-,17-,20-/m1/s1
InChIKeyWEEDSZVYOCGKOT-WOCWXWTJSA-N
XLogP4.17
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-N-ethyl-5-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrrolidine-3-carboxamide with MolForge

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Related Compounds

N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclohexanecarboxamide
CID 9095217
(3R)-1-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 11938415
2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974404
(2S,4S)-N-ethyl-2-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-4-carboxamide
CID 120617399
N-ethyl-1-(4-methylbenzoyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-3-carboxamide
CID 46404082
[2-(2-methylanilino)-2-oxoethyl] (3R)-1-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carboxylate
CID 11928914
(3R)-N-[4-(diethylcarbamoyl)phenyl]-1-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carboxamide
CID 11928640
(3S)-1-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 11928669
[2-(2-methoxyanilino)-2-oxoethyl] (3R)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carboxylate
CID 11928998
[2-(2-methylsulfanylanilino)-2-oxoethyl] (3R)-1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carboxylate
CID 11929020
N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-(trifluoromethyl)benzamide
CID 26356947
2-[acetyl(cyclopentyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113159346

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-N-ethyl-5-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-N-ethyl-5-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrrolidine-3-carboxamide (CID 124741327) is (3R)-1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-N-ethyl-5-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-N-ethyl-5-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-N-ethyl-5-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrrolidine-3-carboxamide is CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)[C@@H]1CC(=O)N([C@@H]2CCC[C@@H](C)[C@H]2C)C1.
What is the InChIKey of (3R)-1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-N-ethyl-5-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrrolidine-3-carboxamide?
The InChIKey is WEEDSZVYOCGKOT-WOCWXWTJSA-N. The full InChI is InChI=1S/C24H32F3N3O3/c1-4-29(14-21(31)28-19-10-6-5-9-18(19)24(25,26)27)23(33)17-12-22(32)30(13-17)20-11-7-8-15(2)16(20)3/h5-6,9-10,15-17,20H,4,7-8,11-14H2,1-3H3,(H,28,31)/t15-,16-,17-,20-/m1/s1.
What are the key properties of (3R)-1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-N-ethyl-5-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrrolidine-3-carboxamide?
(3R)-1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-N-ethyl-5-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrrolidine-3-carboxamide has a molecular weight of 467.53 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-N-ethyl-5-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 124741327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).