3-amino-N-butyl-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide

C13H25F3N2O — CID 65269952

IUPAC3-amino-N-butyl-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCCCN(CC(F)(F)F)C(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C13H25F3N2O/c1-6-7-8-18(9-13(14,15)16)10(19)11(2,3)12(4,5)17/h6-9,17H2,1-5H3
InChIKeyFMMZBJGXOGOXBO-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.94
Rot. Bonds6

About 3-amino-N-butyl-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide

3-amino-N-butyl-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 65269952) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is 3-amino-N-butyl-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name3-amino-N-butyl-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID65269952
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC Name3-amino-N-butyl-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCCCN(CC(F)(F)F)C(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C13H25F3N2O/c1-6-7-8-18(9-13(14,15)16)10(19)11(2,3)12(4,5)17/h6-9,17H2,1-5H3
InChIKeyFMMZBJGXOGOXBO-UHFFFAOYSA-N
XLogP2.94
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-butyl-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 3-amino-N-butyl-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide (CID 65269952) is 3-amino-N-butyl-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 3-amino-N-butyl-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 3-amino-N-butyl-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide is CCCCN(CC(F)(F)F)C(=O)C(C)(C)C(C)(C)N.
What is the InChIKey of 3-amino-N-butyl-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is FMMZBJGXOGOXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-6-7-8-18(9-13(14,15)16)10(19)11(2,3)12(4,5)17/h6-9,17H2,1-5H3.
What are the key properties of 3-amino-N-butyl-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide?
3-amino-N-butyl-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 282.35 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-butyl-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 65269952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).