2-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide

C12H22F3N3O2 — CID 79815221

IUPAC2-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCC(N)(CC)C(=O)N(CC(=O)N(C)C)CC(F)(F)F
InChIInChI=1S/C12H22F3N3O2/c1-5-11(16,6-2)10(20)18(8-12(13,14)15)7-9(19)17(3)4/h5-8,16H2,1-4H3
InChIKeyUHPPXAHJWNWRKX-UHFFFAOYSA-N
MW297.32 g/mol
LogP0.98
Rot. Bonds6

About 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide

2-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 79815221) has the molecular formula C12H22F3N3O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name2-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID79815221
Molecular FormulaC12H22F3N3O2
Molecular Weight297.32 g/mol
Exact Mass297.17
IUPAC Name2-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCC(N)(CC)C(=O)N(CC(=O)N(C)C)CC(F)(F)F
InChIInChI=1S/C12H22F3N3O2/c1-5-11(16,6-2)10(20)18(8-12(13,14)15)7-9(19)17(3)4/h5-8,16H2,1-4H3
InChIKeyUHPPXAHJWNWRKX-UHFFFAOYSA-N
XLogP0.98
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide (CID 79815221) is 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide is CCC(N)(CC)C(=O)N(CC(=O)N(C)C)CC(F)(F)F.
What is the InChIKey of 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is UHPPXAHJWNWRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3O2/c1-5-11(16,6-2)10(20)18(8-12(13,14)15)7-9(19)17(3)4/h5-8,16H2,1-4H3.
What are the key properties of 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide?
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 297.32 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 79815221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).