1-(oxolan-2-ylmethyl)-5-[2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]pyrrolidin-2-one

C19H25F3N2O2 — CID 45226370

IUPAC1-(oxolan-2-ylmethyl)-5-[2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]pyrrolidin-2-one
SMILESO=C1CCC(CCNCc2cccc(C(F)(F)F)c2)N1CC1CCCO1
InChIInChI=1S/C19H25F3N2O2/c20-19(21,22)15-4-1-3-14(11-15)12-23-9-8-16-6-7-18(25)24(16)13-17-5-2-10-26-17/h1,3-4,11,16-17,23H,2,5-10,12-13H2
InChIKeyXRGFWJYOOOAJIQ-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.36
Rot. Bonds7

About 1-(oxolan-2-ylmethyl)-5-[2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]pyrrolidin-2-one

1-(oxolan-2-ylmethyl)-5-[2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]pyrrolidin-2-one (PubChem CID 45226370) has the molecular formula C19H25F3N2O2 and a molecular weight of 370.42 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)-5-[2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)-5-[2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]pyrrolidin-2-one
PubChem CID45226370
Molecular FormulaC19H25F3N2O2
Molecular Weight370.42 g/mol
Exact Mass370.19
IUPAC Name1-(oxolan-2-ylmethyl)-5-[2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]pyrrolidin-2-one
SMILESO=C1CCC(CCNCc2cccc(C(F)(F)F)c2)N1CC1CCCO1
InChIInChI=1S/C19H25F3N2O2/c20-19(21,22)15-4-1-3-14(11-15)12-23-9-8-16-6-7-18(25)24(16)13-17-5-2-10-26-17/h1,3-4,11,16-17,23H,2,5-10,12-13H2
InChIKeyXRGFWJYOOOAJIQ-UHFFFAOYSA-N
XLogP3.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylbenzyl)-5-oxo-N-(tetrahydrofuran-2-ylmethyl)prolinamide
CID 3241451
1-[(4-fluorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 5197630
N-[1-(tetrahydro-2-furanyl)ethyl]-3-(trifluoromethyl)benzamide
CID 2971075
1-[(2-fluorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 46110032
US20250368634, Example 19
CID 178254981
Benzamide, N-tetrahydrofurfuryl-3-trifluoromethyl-
CID 531805
5-{2-[(3-Fluorobenzyl)amino]ethyl}-1-(2-isopropoxyethyl)-2-pyrrolidinone
CID 45169662
5-{2-[(3-Fluorobenzyl)amino]ethyl}-1-(3-isopropoxypropyl)-2-pyrrolidinone
CID 45175084
N-[[8-[[3-(trifluoromethyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
CID 45177160
3-[1-(tetrahydro-2-furanylcarbonyl)-4-piperidinyl]-N-[3-(trifluoromethyl)benzyl]propanamide
CID 45178021
5-{2-[(4-Fluorobenzyl)amino]ethyl}-1-(3-isopropoxypropyl)-2-pyrrolidinone
CID 45185008
5-[2-[(4-Fluorophenyl)methylamino]ethyl]-1-(oxolan-2-ylmethyl)pyrrolidin-2-one
CID 45191639

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethyl)-5-[2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-(oxolan-2-ylmethyl)-5-[2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]pyrrolidin-2-one (CID 45226370) is 1-(oxolan-2-ylmethyl)-5-[2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)-5-[2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-(oxolan-2-ylmethyl)-5-[2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]pyrrolidin-2-one is O=C1CCC(CCNCc2cccc(C(F)(F)F)c2)N1CC1CCCO1.
What is the InChIKey of 1-(oxolan-2-ylmethyl)-5-[2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]pyrrolidin-2-one?
The InChIKey is XRGFWJYOOOAJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O2/c20-19(21,22)15-4-1-3-14(11-15)12-23-9-8-16-6-7-18(25)24(16)13-17-5-2-10-26-17/h1,3-4,11,16-17,23H,2,5-10,12-13H2.
What are the key properties of 1-(oxolan-2-ylmethyl)-5-[2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]pyrrolidin-2-one?
1-(oxolan-2-ylmethyl)-5-[2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]pyrrolidin-2-one has a molecular weight of 370.42 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethyl)-5-[2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 45226370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).