(3R)-3-amino-4,4,4-trifluoro-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide

C13H17F3N2O2 — CID 67982847

IUPAC(3R)-3-amino-4,4,4-trifluoro-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
SMILESCOc1ccc(CNC(=O)C[C@@](C)(N)C(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O2/c1-12(17,13(14,15)16)7-11(19)18-8-9-3-5-10(20-2)6-4-9/h3-6H,7-8,17H2,1-2H3,(H,18,19)/t12-/m1/s1
InChIKeyQGWAEAIUJSPMMP-GFCCVEGCSA-N
MW290.29 g/mol
LogP1.98
Rot. Bonds5

About (3R)-3-amino-4,4,4-trifluoro-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide

(3R)-3-amino-4,4,4-trifluoro-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide (PubChem CID 67982847) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.29 g/mol. Its IUPAC name is (3R)-3-amino-4,4,4-trifluoro-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide.

Molecular Properties

Compound Name(3R)-3-amino-4,4,4-trifluoro-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
PubChem CID67982847
Molecular FormulaC13H17F3N2O2
Molecular Weight290.29 g/mol
Exact Mass290.12
IUPAC Name(3R)-3-amino-4,4,4-trifluoro-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
SMILESCOc1ccc(CNC(=O)C[C@@](C)(N)C(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O2/c1-12(17,13(14,15)16)7-11(19)18-8-9-3-5-10(20-2)6-4-9/h3-6H,7-8,17H2,1-2H3,(H,18,19)/t12-/m1/s1
InChIKeyQGWAEAIUJSPMMP-GFCCVEGCSA-N
XLogP1.98
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanamide
CID 3434751
N-[(4-methoxyphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604876
N-[(4-methoxyphenyl)methyl]-2-sulfanylacetamide
CID 58957123
2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 885776
2-amino-N-[(4-methoxyphenyl)methyl]-2-phenylpropanamide
CID 62489084
1,1,1,4,4,4-hexafluorobutane-2,3-dione;N-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanamide
CID 160974757
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 877839
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-[(4-methoxyphenyl)methyl]-4-oxopentanamide
CID 60636923
N'-[(4-methoxyphenyl)methyl]-2-methylidenebutanediamide
CID 22185292
N'-[(4-methoxyphenyl)methyl]oxamide
CID 2243752

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4,4,4-trifluoro-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide?
The IUPAC name of (3R)-3-amino-4,4,4-trifluoro-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide (CID 67982847) is (3R)-3-amino-4,4,4-trifluoro-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide.
What is the SMILES notation for (3R)-3-amino-4,4,4-trifluoro-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide?
The canonical SMILES for (3R)-3-amino-4,4,4-trifluoro-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide is COc1ccc(CNC(=O)C[C@@](C)(N)C(F)(F)F)cc1.
What is the InChIKey of (3R)-3-amino-4,4,4-trifluoro-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide?
The InChIKey is QGWAEAIUJSPMMP-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-12(17,13(14,15)16)7-11(19)18-8-9-3-5-10(20-2)6-4-9/h3-6H,7-8,17H2,1-2H3,(H,18,19)/t12-/m1/s1.
What are the key properties of (3R)-3-amino-4,4,4-trifluoro-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide?
(3R)-3-amino-4,4,4-trifluoro-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide has a molecular weight of 290.29 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4,4,4-trifluoro-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide is sourced from PubChem (CID 67982847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).