2-(2-methoxyethylamino)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide

C11H18F3N3O3 — CID 119784835

IUPAC2-(2-methoxyethylamino)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide
SMILESCOCCNCC(=O)NC1CCN(CC(F)(F)F)C1=O
InChIInChI=1S/C11H18F3N3O3/c1-20-5-3-15-6-9(18)16-8-2-4-17(10(8)19)7-11(12,13)14/h8,15H,2-7H2,1H3,(H,16,18)
InChIKeyXCBWKRFLEZUNBQ-UHFFFAOYSA-N
MW297.28 g/mol
LogP-0.50
Rot. Bonds7

About 2-(2-methoxyethylamino)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide

2-(2-methoxyethylamino)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide (PubChem CID 119784835) has the molecular formula C11H18F3N3O3 and a molecular weight of 297.28 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide
PubChem CID119784835
Molecular FormulaC11H18F3N3O3
Molecular Weight297.28 g/mol
Exact Mass297.13
IUPAC Name2-(2-methoxyethylamino)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide
SMILESCOCCNCC(=O)NC1CCN(CC(F)(F)F)C1=O
InChIInChI=1S/C11H18F3N3O3/c1-20-5-3-15-6-9(18)16-8-2-4-17(10(8)19)7-11(12,13)14/h8,15H,2-7H2,1H3,(H,16,18)
InChIKeyXCBWKRFLEZUNBQ-UHFFFAOYSA-N
XLogP-0.50
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-benzyl-2-oxopyrrolidin-3-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119757847
N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-(2-methoxyethylamino)acetamide
CID 119814096
2-(2-methoxyethylamino)-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]acetamide
CID 119787510
1-[(3R)-3-methoxybutyl]-3-[(3S)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 97212579
N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(2-methoxyethylamino)acetamide
CID 119814150
methyl (2S)-3,3-dimethyl-2-[[(3S)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]butanoate
CID 97225635
2-(2-methoxyethylamino)-N-(2-oxopiperidin-3-yl)acetamide
CID 79281089
2-(2-methoxyethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60646688
6-methyl-4-oxo-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-pyridine-3-carboxamide
CID 127391213
2-amino-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pentanamide;hydrochloride
CID 119324342
N-[4-[[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]phenyl]propanamide
CID 96549749
2-(2-nitrophenyl)-N-[(3S)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide
CID 96524018

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(2-methoxyethylamino)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide (CID 119784835) is 2-(2-methoxyethylamino)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(2-methoxyethylamino)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide is COCCNCC(=O)NC1CCN(CC(F)(F)F)C1=O.
What is the InChIKey of 2-(2-methoxyethylamino)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide?
The InChIKey is XCBWKRFLEZUNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O3/c1-20-5-3-15-6-9(18)16-8-2-4-17(10(8)19)7-11(12,13)14/h8,15H,2-7H2,1H3,(H,16,18).
What are the key properties of 2-(2-methoxyethylamino)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide?
2-(2-methoxyethylamino)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide has a molecular weight of 297.28 g/mol, XLogP of -0.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 119784835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).