2-amino-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide

C13H17F3N2O2 — CID 79804940

IUPAC2-amino-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide
SMILESCCC(C)(N)C(=O)NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C13H17F3N2O2/c1-3-12(2,17)11(19)18-8-9-6-4-5-7-10(9)20-13(14,15)16/h4-7H,3,8,17H2,1-2H3,(H,18,19)
InChIKeyVARKYNBWTAPJTF-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.33
Rot. Bonds5

About 2-amino-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide

2-amino-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide (PubChem CID 79804940) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.28 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide
PubChem CID79804940
Molecular FormulaC13H17F3N2O2
Molecular Weight290.28 g/mol
Exact Mass290.12
IUPAC Name2-amino-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide
SMILESCCC(C)(N)C(=O)NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C13H17F3N2O2/c1-3-12(2,17)11(19)18-8-9-6-4-5-7-10(9)20-13(14,15)16/h4-7H,3,8,17H2,1-2H3,(H,18,19)
InChIKeyVARKYNBWTAPJTF-UHFFFAOYSA-N
XLogP2.33
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 114327416
2-amino-N-[(2-fluorophenyl)methyl]-2-methylbutanamide
CID 79796502
2-amino-N-[(2-chlorophenyl)methyl]-2-methylbutanamide
CID 79796852
2-(ethylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 60703728
2,2-dimethyl-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]propanamide
CID 110444704
1-diethoxyphosphoryl-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 3584248
1-[2-(trifluoromethoxy)phenyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 3817679
2-(propan-2-ylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 60703769
3-acetamido-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 9451822
2-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide
CID 55035674
tert-butyl N-[3-oxo-3-[[2-(trifluoromethoxy)phenyl]methylamino]propyl]carbamate
CID 34555299
methyl 5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]thiophene-2-carboxylate
CID 38750833

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide?
The IUPAC name of 2-amino-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide (CID 79804940) is 2-amino-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide.
What is the SMILES notation for 2-amino-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide?
The canonical SMILES for 2-amino-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide is CCC(C)(N)C(=O)NCc1ccccc1OC(F)(F)F.
What is the InChIKey of 2-amino-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide?
The InChIKey is VARKYNBWTAPJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-3-12(2,17)11(19)18-8-9-6-4-5-7-10(9)20-13(14,15)16/h4-7H,3,8,17H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide?
2-amino-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide has a molecular weight of 290.28 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide is sourced from PubChem (CID 79804940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).