4-amino-3-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)butanamide

C8H15F3N2O2 — CID 103154875

IUPAC4-amino-3-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCOC(CN)CC(=O)N(C)CC(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c1-13(5-8(9,10)11)7(14)3-6(4-12)15-2/h6H,3-5,12H2,1-2H3
InChIKeyUCZUPTWHGOMBMN-UHFFFAOYSA-N
MW228.21 g/mol
LogP0.37
Rot. Bonds5

About 4-amino-3-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)butanamide

4-amino-3-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 103154875) has the molecular formula C8H15F3N2O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID103154875
Molecular FormulaC8H15F3N2O2
Molecular Weight228.21 g/mol
Exact Mass228.11
IUPAC Name4-amino-3-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCOC(CN)CC(=O)N(C)CC(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c1-13(5-8(9,10)11)7(14)3-6(4-12)15-2/h6H,3-5,12H2,1-2H3
InChIKeyUCZUPTWHGOMBMN-UHFFFAOYSA-N
XLogP0.37
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 4-amino-3-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)butanamide (CID 103154875) is 4-amino-3-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)butanamide is COC(CN)CC(=O)N(C)CC(F)(F)F.
What is the InChIKey of 4-amino-3-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is UCZUPTWHGOMBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2/c1-13(5-8(9,10)11)7(14)3-6(4-12)15-2/h6H,3-5,12H2,1-2H3.
What are the key properties of 4-amino-3-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)butanamide?
4-amino-3-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 228.21 g/mol, XLogP of 0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 103154875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).