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

C12H20F3N3O2 — CID 63708248

IUPACN-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCCN(CC(=O)N(C)C)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H20F3N3O2/c1-4-18(7-9(19)17(2)3)10(20)11(12(13,14)15)5-6-16-8-11/h16H,4-8H2,1-3H3
InChIKeyAPFFHJXVJWYJSH-UHFFFAOYSA-N
MW295.30 g/mol
LogP0.47
Rot. Bonds4

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

N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63708248) has the molecular formula C12H20F3N3O2 and a molecular weight of 295.30 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63708248
Molecular FormulaC12H20F3N3O2
Molecular Weight295.30 g/mol
Exact Mass295.15
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCCN(CC(=O)N(C)C)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H20F3N3O2/c1-4-18(7-9(19)17(2)3)10(20)11(12(13,14)15)5-6-16-8-11/h16H,4-8H2,1-3H3
InChIKeyAPFFHJXVJWYJSH-UHFFFAOYSA-N
XLogP0.47
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63708248) is N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CCN(CC(=O)N(C)C)C(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is APFFHJXVJWYJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O2/c1-4-18(7-9(19)17(2)3)10(20)11(12(13,14)15)5-6-16-8-11/h16H,4-8H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 295.30 g/mol, XLogP of 0.47, 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-ethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63708248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).