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

C11H18F3N3O2 — CID 55150427

IUPACN-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)C1CCNC1
InChIInChI=1S/C11H18F3N3O2/c1-16(2)9(18)6-17(7-11(12,13)14)10(19)8-3-4-15-5-8/h8,15H,3-7H2,1-2H3
InChIKeyHPMUOVXNPGHFCD-UHFFFAOYSA-N
MW281.28 g/mol
LogP0.08
Rot. Bonds4

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

N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 55150427) has the molecular formula C11H18F3N3O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID55150427
Molecular FormulaC11H18F3N3O2
Molecular Weight281.28 g/mol
Exact Mass281.14
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)C1CCNC1
InChIInChI=1S/C11H18F3N3O2/c1-16(2)9(18)6-17(7-11(12,13)14)10(19)8-3-4-15-5-8/h8,15H,3-7H2,1-2H3
InChIKeyHPMUOVXNPGHFCD-UHFFFAOYSA-N
XLogP0.08
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyrrolidine-3-carboxamide
CID 63005457
N-[2-(dimethylamino)-2-oxoethyl]-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 78981901
N-[2-(dimethylamino)-2-oxoethyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119687382
2-[[(3R)-piperidine-3-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 81133973
(3S)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 81129896
(3S)-N-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 81124814
N-[2-(dimethylamino)-2-oxoethyl]-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 87025475
cesium;carbanide;N,N-dimethylpyrrolidine-3-carboxamide
CID 177005866
N-(2,2-dimethylpropyl)-N-methylpyrrolidine-3-carboxamide
CID 63005495
N-[2-(dimethylamino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 43375315
(3S)-N-methyl-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 131110681
N-[2-(dimethylamino)-2-oxoethyl]-3-oxo-N-(2,2,2-trifluoroethyl)butanamide
CID 54876613

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 55150427) is N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is CN(C)C(=O)CN(CC(F)(F)F)C(=O)C1CCNC1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is HPMUOVXNPGHFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O2/c1-16(2)9(18)6-17(7-11(12,13)14)10(19)8-3-4-15-5-8/h8,15H,3-7H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 281.28 g/mol, XLogP of 0.08, 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]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55150427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).