3-hydroxy-2,2-dimethyl-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propanamide

C17H21F3N2O3 — CID 166031166

IUPAC3-hydroxy-2,2-dimethyl-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propanamide
SMILESCC(C)(CO)C(=O)NC1CC(=O)N(Cc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C17H21F3N2O3/c1-16(2,10-23)15(25)21-12-7-14(24)22(9-12)8-11-5-3-4-6-13(11)17(18,19)20/h3-6,12,23H,7-10H2,1-2H3,(H,21,25)
InChIKeyHRRYTHVWJPKVST-UHFFFAOYSA-N
MW358.36 g/mol
LogP1.94
Rot. Bonds5

About 3-hydroxy-2,2-dimethyl-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propanamide

3-hydroxy-2,2-dimethyl-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propanamide (PubChem CID 166031166) has the molecular formula C17H21F3N2O3 and a molecular weight of 358.36 g/mol. Its IUPAC name is 3-hydroxy-2,2-dimethyl-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name3-hydroxy-2,2-dimethyl-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propanamide
PubChem CID166031166
Molecular FormulaC17H21F3N2O3
Molecular Weight358.36 g/mol
Exact Mass358.15
IUPAC Name3-hydroxy-2,2-dimethyl-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propanamide
SMILESCC(C)(CO)C(=O)NC1CC(=O)N(Cc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C17H21F3N2O3/c1-16(2,10-23)15(25)21-12-7-14(24)22(9-12)8-11-5-3-4-6-13(11)17(18,19)20/h3-6,12,23H,7-10H2,1-2H3,(H,21,25)
InChIKeyHRRYTHVWJPKVST-UHFFFAOYSA-N
XLogP1.94
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-hydroxy-2,2-dimethyl-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]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

N-(S)-Pyrrolidin-3-yl-N-(2-trifluoromethyl-benzyl)-isobutyramide
CID 11602095
(2S)-1-ethyl-5-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 49864952
(S)-N-(pyrrolidin-3-yl)-N-(2-(trifluoromethyl)benzyl)cyclobutanecarboxamide
CID 45269351
N-ethyl-N'-{5-oxo-1-[2-(trifluoromethyl)benzyl]-3-pyrrolidinyl}urea
CID 45168836
N-{5-oxo-1-[2-(trifluoromethyl)benzyl]-3-pyrrolidinyl}tetrahydro-2H-pyran-4-carboxamide
CID 45235022
2-hydroxy-N-{5-oxo-1-[2-(trifluoromethyl)benzyl]pyrrolidin-3-yl}acetamide
CID 56913627
(4S)-N-ethyl-1-(4-fluoro-2-methylbenzyl)-4-[(3-methoxypropanoyl)amino]-L-prolinamide
CID 72838113
N-[4-(Hydroxymethyl)-1-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-3-YL]cyclopropanecarboxamide
CID 110202598
N-Cyclopropyl-1-[(2,4-difluorophenyl)methyl]-4-(hydroxymethyl)pyrrolidine-3-carboxamide
CID 110203651
(3S,4S)-N-cyclopropyl-4-(hydroxymethyl)-1-[(2,4,5-trifluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 110203654
(3S,4S)-1-(3,4-difluorobenzyl)-4-(hydroxymethyl)-N-methyltetrahydro-1H-pyrrole-3-carboxamide
CID 110203684
(3S,4S)-4-(hydroxymethyl)-N-methyl-1-[2-(trifluoromethyl)benzyl]tetrahydro-1H-pyrrole-3-carboxamide
CID 110203685

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,2-dimethyl-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propanamide?
The IUPAC name of 3-hydroxy-2,2-dimethyl-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propanamide (CID 166031166) is 3-hydroxy-2,2-dimethyl-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propanamide.
What is the SMILES notation for 3-hydroxy-2,2-dimethyl-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propanamide?
The canonical SMILES for 3-hydroxy-2,2-dimethyl-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propanamide is CC(C)(CO)C(=O)NC1CC(=O)N(Cc2ccccc2C(F)(F)F)C1.
What is the InChIKey of 3-hydroxy-2,2-dimethyl-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propanamide?
The InChIKey is HRRYTHVWJPKVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O3/c1-16(2,10-23)15(25)21-12-7-14(24)22(9-12)8-11-5-3-4-6-13(11)17(18,19)20/h3-6,12,23H,7-10H2,1-2H3,(H,21,25).
What are the key properties of 3-hydroxy-2,2-dimethyl-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propanamide?
3-hydroxy-2,2-dimethyl-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propanamide has a molecular weight of 358.36 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,2-dimethyl-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 166031166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).