N-[2-(methylamino)-2-oxoethyl]-N-propyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C12H20F3N3O2 — CID 63710228

IUPACN-[2-(methylamino)-2-oxoethyl]-N-propyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCCCN(CC(=O)NC)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H20F3N3O2/c1-3-6-18(7-9(19)16-2)10(20)11(12(13,14)15)4-5-17-8-11/h17H,3-8H2,1-2H3,(H,16,19)
InChIKeyXTMKTQHIFURSCE-UHFFFAOYSA-N
MW295.30 g/mol
LogP0.51
Rot. Bonds5

About N-[2-(methylamino)-2-oxoethyl]-N-propyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-[2-(methylamino)-2-oxoethyl]-N-propyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63710228) has the molecular formula C12H20F3N3O2 and a molecular weight of 295.30 g/mol. Its IUPAC name is N-[2-(methylamino)-2-oxoethyl]-N-propyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(methylamino)-2-oxoethyl]-N-propyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63710228
Molecular FormulaC12H20F3N3O2
Molecular Weight295.30 g/mol
Exact Mass295.15
IUPAC NameN-[2-(methylamino)-2-oxoethyl]-N-propyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCCCN(CC(=O)NC)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H20F3N3O2/c1-3-6-18(7-9(19)16-2)10(20)11(12(13,14)15)4-5-17-8-11/h17H,3-8H2,1-2H3,(H,16,19)
InChIKeyXTMKTQHIFURSCE-UHFFFAOYSA-N
XLogP0.51
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(methylamino)-2-oxoethyl]-N-propyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)-2-oxoethyl]-N-propyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(methylamino)-2-oxoethyl]-N-propyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63710228) is N-[2-(methylamino)-2-oxoethyl]-N-propyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(methylamino)-2-oxoethyl]-N-propyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(methylamino)-2-oxoethyl]-N-propyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CCCN(CC(=O)NC)C(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-[2-(methylamino)-2-oxoethyl]-N-propyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is XTMKTQHIFURSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O2/c1-3-6-18(7-9(19)16-2)10(20)11(12(13,14)15)4-5-17-8-11/h17H,3-8H2,1-2H3,(H,16,19).
What are the key properties of N-[2-(methylamino)-2-oxoethyl]-N-propyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-[2-(methylamino)-2-oxoethyl]-N-propyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 295.30 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)-2-oxoethyl]-N-propyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63710228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).