N-[2-(dimethylamino)-2-oxoethyl]-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C11H16F3N3O3 — CID 78981901

IUPACN-[2-(dimethylamino)-2-oxoethyl]-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)C1CNC(=O)C1
InChIInChI=1S/C11H16F3N3O3/c1-16(2)9(19)5-17(6-11(12,13)14)10(20)7-3-8(18)15-4-7/h7H,3-6H2,1-2H3,(H,15,18)
InChIKeyLTOAODGZWBDMGH-UHFFFAOYSA-N
MW295.26 g/mol
LogP-0.40
Rot. Bonds4

About N-[2-(dimethylamino)-2-oxoethyl]-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

N-[2-(dimethylamino)-2-oxoethyl]-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 78981901) has the molecular formula C11H16F3N3O3 and a molecular weight of 295.26 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID78981901
Molecular FormulaC11H16F3N3O3
Molecular Weight295.26 g/mol
Exact Mass295.11
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)C1CNC(=O)C1
InChIInChI=1S/C11H16F3N3O3/c1-16(2)9(19)5-17(6-11(12,13)14)10(20)7-3-8(18)15-4-7/h7H,3-6H2,1-2H3,(H,15,18)
InChIKeyLTOAODGZWBDMGH-UHFFFAOYSA-N
XLogP-0.40
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-2-oxoethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 78982846
N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 55150427
N-butyl-6-oxo-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 112729310
N-(2-amino-2-oxoethyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 103103793
N,N-bis(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 83191607
N-[2-(dimethylamino)-2-oxoethyl]-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 87025475
N-cyclopropyl-6-oxo-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 78971176
N-ethyl-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 78981630
N-cyclopropyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 78983294
N-[2-(dimethylamino)-2-oxoethyl]-3-oxo-N-(2,2,2-trifluoroethyl)butanamide
CID 54876613
N-[3-(dimethylamino)-3-oxopropyl]-5-oxopyrrolidine-3-carboxamide
CID 78983149
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 61266021

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 78981901) is N-[2-(dimethylamino)-2-oxoethyl]-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is CN(C)C(=O)CN(CC(F)(F)F)C(=O)C1CNC(=O)C1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is LTOAODGZWBDMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O3/c1-16(2)9(19)5-17(6-11(12,13)14)10(20)7-3-8(18)15-4-7/h7H,3-6H2,1-2H3,(H,15,18).
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
N-[2-(dimethylamino)-2-oxoethyl]-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 295.26 g/mol, XLogP of -0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 78981901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).