5-[2-(2-methoxyethylamino)ethyl]-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one

C17H23F3N2O3 — CID 45224430

IUPAC5-[2-(2-methoxyethylamino)ethyl]-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
SMILESCOCCNCCC1CCC(=O)N1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H23F3N2O3/c1-24-11-10-21-9-8-14-4-7-16(23)22(14)12-13-2-5-15(6-3-13)25-17(18,19)20/h2-3,5-6,14,21H,4,7-12H2,1H3
InChIKeyZBZOQBDHWVLRQM-UHFFFAOYSA-N
MW360.38 g/mol
LogP2.70
Rot. Bonds9

About 5-[2-(2-methoxyethylamino)ethyl]-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one

5-[2-(2-methoxyethylamino)ethyl]-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one (PubChem CID 45224430) has the molecular formula C17H23F3N2O3 and a molecular weight of 360.38 g/mol. Its IUPAC name is 5-[2-(2-methoxyethylamino)ethyl]-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[2-(2-methoxyethylamino)ethyl]-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
PubChem CID45224430
Molecular FormulaC17H23F3N2O3
Molecular Weight360.38 g/mol
Exact Mass360.17
IUPAC Name5-[2-(2-methoxyethylamino)ethyl]-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
SMILESCOCCNCCC1CCC(=O)N1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H23F3N2O3/c1-24-11-10-21-9-8-14-4-7-16(23)22(14)12-13-2-5-15(6-3-13)25-17(18,19)20/h2-3,5-6,14,21H,4,7-12H2,1H3
InChIKeyZBZOQBDHWVLRQM-UHFFFAOYSA-N
XLogP2.70
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(5-fluoro-2-methylphenyl)methyl]-5-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one
CID 45252200
5-[2-(ethylamino)ethyl]-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
CID 56858054
1-[(4-chlorophenyl)methyl]-5-[2-(ethylamino)ethyl]pyrrolidin-2-one
CID 45215570
(5R)-5-[2-(2-methoxyethylamino)ethyl]-1-(3-methylbutyl)pyrrolidin-2-one
CID 26326282
methyl 4-[[2-[(2S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]ethylamino]methyl]benzoate
CID 26344788
(5R)-5-[2-[(3-methoxyphenyl)methylamino]ethyl]-1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
CID 42164350
(5R)-1-[(4-chlorophenyl)methyl]-5-[2-[(3-methoxyphenyl)methylamino]ethyl]pyrrolidin-2-one
CID 26356442
1-(2-methoxyethyl)-5-[2-(naphthalen-2-ylmethylamino)ethyl]pyrrolidin-2-one
CID 118757536
6-(2-fluoro-6-methoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one
CID 69083745
1-[(3,4-dimethoxyphenyl)methyl]-5-[2-(prop-2-enylamino)ethyl]pyrrolidin-2-one
CID 118757532
1-[2-(4-fluorophenyl)ethyl]-5-[2-[(4-methoxyphenyl)methylamino]ethyl]pyrrolidin-2-one
CID 45185202
6-(2-methoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one
CID 69082267

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methoxyethylamino)ethyl]-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[2-(2-methoxyethylamino)ethyl]-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one (CID 45224430) is 5-[2-(2-methoxyethylamino)ethyl]-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[2-(2-methoxyethylamino)ethyl]-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[2-(2-methoxyethylamino)ethyl]-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one is COCCNCCC1CCC(=O)N1Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 5-[2-(2-methoxyethylamino)ethyl]-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one?
The InChIKey is ZBZOQBDHWVLRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O3/c1-24-11-10-21-9-8-14-4-7-16(23)22(14)12-13-2-5-15(6-3-13)25-17(18,19)20/h2-3,5-6,14,21H,4,7-12H2,1H3.
What are the key properties of 5-[2-(2-methoxyethylamino)ethyl]-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one?
5-[2-(2-methoxyethylamino)ethyl]-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one has a molecular weight of 360.38 g/mol, XLogP of 2.70, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methoxyethylamino)ethyl]-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 45224430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).