N-(2-hydroxyethyl)-1-(2-methylpropyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C13H21F3N2O3 — CID 103915558

IUPACN-(2-hydroxyethyl)-1-(2-methylpropyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCC(C)CN1CC(C(=O)N(CCO)CC(F)(F)F)CC1=O
InChIInChI=1S/C13H21F3N2O3/c1-9(2)6-18-7-10(5-11(18)20)12(21)17(3-4-19)8-13(14,15)16/h9-10,19H,3-8H2,1-2H3
InChIKeyPLENYOICIKUAQC-UHFFFAOYSA-N
MW310.32 g/mol
LogP0.87
Rot. Bonds6

About N-(2-hydroxyethyl)-1-(2-methylpropyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

N-(2-hydroxyethyl)-1-(2-methylpropyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 103915558) has the molecular formula C13H21F3N2O3 and a molecular weight of 310.32 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1-(2-methylpropyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-1-(2-methylpropyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID103915558
Molecular FormulaC13H21F3N2O3
Molecular Weight310.32 g/mol
Exact Mass310.15
IUPAC NameN-(2-hydroxyethyl)-1-(2-methylpropyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCC(C)CN1CC(C(=O)N(CCO)CC(F)(F)F)CC1=O
InChIInChI=1S/C13H21F3N2O3/c1-9(2)6-18-7-10(5-11(18)20)12(21)17(3-4-19)8-13(14,15)16/h9-10,19H,3-8H2,1-2H3
InChIKeyPLENYOICIKUAQC-UHFFFAOYSA-N
XLogP0.87
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-hydroxyethyl)-1-(2-methylpropyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-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

N-(2-hydroxyethyl)-1-(2-methylpropyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 43572949
N,N-diethyl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 51077779
1-cyclopropyl-N-(2-hydroxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 103915447
2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265045
N-cyclopropyl-N-(2-hydroxyethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 43576599
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 107482954
N-(4-hydroxy-2-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 66109437
2-[2-(dimethylamino)ethyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetic acid
CID 126781440
4-hydroxy-2-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid
CID 61244580
N-(3-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 47025507
1-butyl-N,N-bis(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 17082660
(3S)-N-cyclopropyl-5-oxo-1-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 97017758

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-1-(2-methylpropyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-1-(2-methylpropyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 103915558) is N-(2-hydroxyethyl)-1-(2-methylpropyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-1-(2-methylpropyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-1-(2-methylpropyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is CC(C)CN1CC(C(=O)N(CCO)CC(F)(F)F)CC1=O.
What is the InChIKey of N-(2-hydroxyethyl)-1-(2-methylpropyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is PLENYOICIKUAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O3/c1-9(2)6-18-7-10(5-11(18)20)12(21)17(3-4-19)8-13(14,15)16/h9-10,19H,3-8H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-1-(2-methylpropyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
N-(2-hydroxyethyl)-1-(2-methylpropyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 310.32 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-1-(2-methylpropyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 103915558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).