4-methoxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxamide

C11H18F3N3O3 — CID 61214360

IUPAC4-methoxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)N(C)CC(=O)NCC(F)(F)F)C1
InChIInChI=1S/C11H18F3N3O3/c1-17(5-9(18)16-6-11(12,13)14)10(19)8-3-7(20-2)4-15-8/h7-8,15H,3-6H2,1-2H3,(H,16,18)
InChIKeyKTBOJEBADZWJBW-UHFFFAOYSA-N
MW297.28 g/mol
LogP-0.50
Rot. Bonds5

About 4-methoxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxamide

4-methoxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxamide (PubChem CID 61214360) has the molecular formula C11H18F3N3O3 and a molecular weight of 297.28 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxamide
PubChem CID61214360
Molecular FormulaC11H18F3N3O3
Molecular Weight297.28 g/mol
Exact Mass297.13
IUPAC Name4-methoxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)N(C)CC(=O)NCC(F)(F)F)C1
InChIInChI=1S/C11H18F3N3O3/c1-17(5-9(18)16-6-11(12,13)14)10(19)8-3-7(20-2)4-15-8/h7-8,15H,3-6H2,1-2H3,(H,16,18)
InChIKeyKTBOJEBADZWJBW-UHFFFAOYSA-N
XLogP-0.50
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

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Related Compounds

N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxamide
CID 60783712
N-(2-hydroxypropyl)-4-methoxy-N-methylpyrrolidine-2-carboxamide
CID 62335262
N-(2-ethoxyethyl)-4-methoxy-N-methylpyrrolidine-2-carboxamide
CID 81059751
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-methoxypyrrolidine-2-carboxamide
CID 106148580
4,4,4-trifluoro-1-(4-methoxypyrrolidin-2-yl)butan-1-one
CID 116560728
4-methoxy-N-methyl-N-pent-4-enylpyrrolidine-2-carboxamide
CID 115753468
4-methoxy-N-methyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 61215235
methyl (2S,4S)-4-methoxypyrrolidine-2-carboxylate
CID 14036209
(2S)-N-(2,2,2-trifluoroethyl)aziridine-2-carboxamide
CID 97184752
N-(2-amino-2-oxoethyl)-4-methoxy-N-propan-2-ylpyrrolidine-2-carboxamide
CID 61214612
N-methyl-3-oxo-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide
CID 54876595
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide
CID 61215363

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-methoxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxamide (CID 61214360) is 4-methoxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-methoxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxamide is COC1CNC(C(=O)N(C)CC(=O)NCC(F)(F)F)C1.
What is the InChIKey of 4-methoxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is KTBOJEBADZWJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O3/c1-17(5-9(18)16-6-11(12,13)14)10(19)8-3-7(20-2)4-15-8/h7-8,15H,3-6H2,1-2H3,(H,16,18).
What are the key properties of 4-methoxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxamide?
4-methoxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 297.28 g/mol, XLogP of -0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 61214360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).