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

C10H18F3N3O2 — CID 54872078

IUPAC3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(N)CC(=O)N(CC(=O)N(C)C)CC(F)(F)F
InChIInChI=1S/C10H18F3N3O2/c1-7(14)4-8(17)16(6-10(11,12)13)5-9(18)15(2)3/h7H,4-6,14H2,1-3H3
InChIKeyJWLVYQORJPYFDY-UHFFFAOYSA-N
MW269.27 g/mol
LogP0.20
Rot. Bonds5

About 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)butanamide

3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 54872078) has the molecular formula C10H18F3N3O2 and a molecular weight of 269.27 g/mol. Its IUPAC name is 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID54872078
Molecular FormulaC10H18F3N3O2
Molecular Weight269.27 g/mol
Exact Mass269.14
IUPAC Name3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(N)CC(=O)N(CC(=O)N(C)C)CC(F)(F)F
InChIInChI=1S/C10H18F3N3O2/c1-7(14)4-8(17)16(6-10(11,12)13)5-9(18)15(2)3/h7H,4-6,14H2,1-3H3
InChIKeyJWLVYQORJPYFDY-UHFFFAOYSA-N
XLogP0.20
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)butanamide (CID 54872078) is 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)butanamide is CC(N)CC(=O)N(CC(=O)N(C)C)CC(F)(F)F.
What is the InChIKey of 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is JWLVYQORJPYFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O2/c1-7(14)4-8(17)16(6-10(11,12)13)5-9(18)15(2)3/h7H,4-6,14H2,1-3H3.
What are the key properties of 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)butanamide?
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 269.27 g/mol, XLogP of 0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 54872078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).