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

C11H18F3N3O2 — CID 63708425

IUPACN-ethyl-N-[2-(methylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCCN(CC(=O)NC)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H18F3N3O2/c1-3-17(6-8(18)15-2)9(19)10(11(12,13)14)4-5-16-7-10/h16H,3-7H2,1-2H3,(H,15,18)
InChIKeyRTDGOQLXZOPKPA-UHFFFAOYSA-N
MW281.28 g/mol
LogP0.12
Rot. Bonds4

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

N-ethyl-N-[2-(methylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63708425) has the molecular formula C11H18F3N3O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is N-ethyl-N-[2-(methylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(methylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63708425
Molecular FormulaC11H18F3N3O2
Molecular Weight281.28 g/mol
Exact Mass281.14
IUPAC NameN-ethyl-N-[2-(methylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCCN(CC(=O)NC)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H18F3N3O2/c1-3-17(6-8(18)15-2)9(19)10(11(12,13)14)4-5-16-7-10/h16H,3-7H2,1-2H3,(H,15,18)
InChIKeyRTDGOQLXZOPKPA-UHFFFAOYSA-N
XLogP0.12
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(methylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-ethyl-N-[2-(methylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63708425) is N-ethyl-N-[2-(methylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-(methylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-ethyl-N-[2-(methylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CCN(CC(=O)NC)C(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-ethyl-N-[2-(methylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is RTDGOQLXZOPKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O2/c1-3-17(6-8(18)15-2)9(19)10(11(12,13)14)4-5-16-7-10/h16H,3-7H2,1-2H3,(H,15,18).
What are the key properties of N-ethyl-N-[2-(methylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-ethyl-N-[2-(methylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 281.28 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(methylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63708425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).