2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[(3S,4R)-4-(2-methylphenyl)-1-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide

C29H33F6N3O3 — CID 59840096

IUPAC2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[(3S,4R)-4-(2-methylphenyl)-1-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide
SMILESCc1ccccc1[C@@H]1CN(C(=O)N2CCOCC2)C[C@H]1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C29H33F6N3O3/c1-18-7-5-6-8-22(18)23-16-38(26(40)37-9-11-41-12-10-37)17-24(23)36(4)25(39)27(2,3)19-13-20(28(30,31)32)15-21(14-19)29(33,34)35/h5-8,13-15,23-24H,9-12,16-17H2,1-4H3/t23-,24+/m0/s1
InChIKeyZOAGPNMMGIVHST-BJKOFHAPSA-N
MW585.59 g/mol
LogP5.69
Rot. Bonds4

About 2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[(3S,4R)-4-(2-methylphenyl)-1-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide

2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[(3S,4R)-4-(2-methylphenyl)-1-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide (PubChem CID 59840096) has the molecular formula C29H33F6N3O3 and a molecular weight of 585.59 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[(3S,4R)-4-(2-methylphenyl)-1-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[(3S,4R)-4-(2-methylphenyl)-1-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide
PubChem CID59840096
Molecular FormulaC29H33F6N3O3
Molecular Weight585.59 g/mol
Exact Mass585.24
IUPAC Name2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[(3S,4R)-4-(2-methylphenyl)-1-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide
SMILESCc1ccccc1[C@@H]1CN(C(=O)N2CCOCC2)C[C@H]1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C29H33F6N3O3/c1-18-7-5-6-8-22(18)23-16-38(26(40)37-9-11-41-12-10-37)17-24(23)36(4)25(39)27(2,3)19-13-20(28(30,31)32)15-21(14-19)29(33,34)35/h5-8,13-15,23-24H,9-12,16-17H2,1-4H3/t23-,24+/m0/s1
InChIKeyZOAGPNMMGIVHST-BJKOFHAPSA-N
XLogP5.69
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.59
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[(3S,4R)-4-(2-methylphenyl)-1-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide 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

Dextromoramide
CID 92943
1-((3R)-3-Methyl-4-(4-morpholinyl)-1-oxo-2,2-diphenylbutyl)pyrrolidine
CID 10453145
Racemoramide
CID 9648
(3R,4S)-3-(2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethylpropanamido)-4-(4-fluorophenyl)-N-(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 52940879
N-((3R,4S)-1-(4-acetylpiperazine-1-carbonyl)-4-(4-fluorophenyl)pyrrolidin-3-yl)-2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethylpropanamide
CID 52943089
2-(3,5-bis(trifluoromethyl)phenyl)-N-((3R,4S)-4-(4-fluorophenyl)-1-(4-(methylsulfonyl)piperazine-1-carbonyl)pyrrolidin-3-yl)-N,2-dimethylpropanamide
CID 52943090
(3R,4S)-3-(2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethylpropanamido)-4-(4-fluorophenyl)-N,N-bis(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 52946726
2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethyl-N-((3R,4S)-1-(4-(methylsulfonyl)piperazine-1-carbonyl)-4-phenylpyrrolidin-3-yl)propanamide
CID 52947688
3-[(3S,4S)-4-[[2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoyl]-methylamino]-3-(4-fluoro-2-methylphenyl)piperidin-1-yl]-N,N-dimethylazetidine-1-carboxamide
CID 11498246
3-[(3R,4R)-4-[[2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoyl]-methylamino]-3-(4-fluoro-2-methylphenyl)piperidin-1-yl]-N,N-dimethylazetidine-1-carboxamide
CID 11498247
(3S,4S)-1-(1-acetylazetidin-3-yl)-3-(4-fluoro-2-methylphenyl)-4-{N-methyl-2-(3,5-bistrifluoromethylphenyl)isobutyrylamino}piperidine
CID 11505334
2-[3,5-bis(trifluoromethyl)phenyl]-N-[(3R,4R)-3-(4-fluoro-2-methylphenyl)-1-[1-(2-hydroxyacetyl)azetidin-3-yl]piperidin-4-yl]-N,2-dimethylpropanamide
CID 11527370

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[(3S,4R)-4-(2-methylphenyl)-1-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[(3S,4R)-4-(2-methylphenyl)-1-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide (CID 59840096) is 2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[(3S,4R)-4-(2-methylphenyl)-1-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[(3S,4R)-4-(2-methylphenyl)-1-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[(3S,4R)-4-(2-methylphenyl)-1-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide is Cc1ccccc1[C@@H]1CN(C(=O)N2CCOCC2)C[C@H]1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[(3S,4R)-4-(2-methylphenyl)-1-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide?
The InChIKey is ZOAGPNMMGIVHST-BJKOFHAPSA-N. The full InChI is InChI=1S/C29H33F6N3O3/c1-18-7-5-6-8-22(18)23-16-38(26(40)37-9-11-41-12-10-37)17-24(23)36(4)25(39)27(2,3)19-13-20(28(30,31)32)15-21(14-19)29(33,34)35/h5-8,13-15,23-24H,9-12,16-17H2,1-4H3/t23-,24+/m0/s1.
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[(3S,4R)-4-(2-methylphenyl)-1-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide?
2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[(3S,4R)-4-(2-methylphenyl)-1-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide has a molecular weight of 585.59 g/mol, XLogP of 5.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[(3S,4R)-4-(2-methylphenyl)-1-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 59840096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).