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

C12H20F3N3O2 — CID 63708439

IUPACN-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCCNC(=O)CN(CC)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H20F3N3O2/c1-3-17-9(19)7-18(4-2)10(20)11(12(13,14)15)5-6-16-8-11/h16H,3-8H2,1-2H3,(H,17,19)
InChIKeyGWAPQWQAGAOZET-UHFFFAOYSA-N
MW295.31 g/mol
LogP0.51
Rot. Bonds5

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

N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63708439) has the molecular formula C12H20F3N3O2 and a molecular weight of 295.31 g/mol. Its IUPAC name is N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63708439
Molecular FormulaC12H20F3N3O2
Molecular Weight295.31 g/mol
Exact Mass295.15
IUPAC NameN-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCCNC(=O)CN(CC)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H20F3N3O2/c1-3-17-9(19)7-18(4-2)10(20)11(12(13,14)15)5-6-16-8-11/h16H,3-8H2,1-2H3,(H,17,19)
InChIKeyGWAPQWQAGAOZET-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 ≤ 500295.31
LogP ≤ 50.51
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-(ethylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63708439) is N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CCNC(=O)CN(CC)C(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is GWAPQWQAGAOZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O2/c1-3-17-9(19)7-18(4-2)10(20)11(12(13,14)15)5-6-16-8-11/h16H,3-8H2,1-2H3,(H,17,19).
What are the key properties of N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 295.31 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-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63708439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).