(2R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methyl-2-(methylamino)butanamide

C15H18F6N2O — CID 90256548

IUPAC(2R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methyl-2-(methylamino)butanamide
SMILESCN[C@@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(C)C
InChIInChI=1S/C15H18F6N2O/c1-8(2)12(22-3)13(24)23-7-9-4-10(14(16,17)18)6-11(5-9)15(19,20)21/h4-6,8,12,22H,7H2,1-3H3,(H,23,24)/t12-/m1/s1
InChIKeyIYESZLNQSOXXMS-GFCCVEGCSA-N
MW356.31 g/mol
LogP3.58
Rot. Bonds5

About (2R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methyl-2-(methylamino)butanamide

(2R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methyl-2-(methylamino)butanamide (PubChem CID 90256548) has the molecular formula C15H18F6N2O and a molecular weight of 356.31 g/mol. Its IUPAC name is (2R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methyl-2-(methylamino)butanamide.

Molecular Properties

Compound Name(2R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methyl-2-(methylamino)butanamide
PubChem CID90256548
Molecular FormulaC15H18F6N2O
Molecular Weight356.31 g/mol
Exact Mass356.13
IUPAC Name(2R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methyl-2-(methylamino)butanamide
SMILESCN[C@@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(C)C
InChIInChI=1S/C15H18F6N2O/c1-8(2)12(22-3)13(24)23-7-9-4-10(14(16,17)18)6-11(5-9)15(19,20)21/h4-6,8,12,22H,7H2,1-3H3,(H,23,24)/t12-/m1/s1
InChIKeyIYESZLNQSOXXMS-GFCCVEGCSA-N
XLogP3.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.31
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methylpropanamide
CID 153344454
(2S)-2-amino-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methylpentanamide
CID 71731531
N-benzyl-3-methyl-2-(methylamino)butanamide
CID 21365821
(2R)-3-methyl-2-[(2-phenylacetyl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 51968871
3-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide
CID 123596150
N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]acetamide
CID 20717935
2-methyl-3-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 79196060
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methoxyurea
CID 166182708
N'-[[3,5-bis(trifluoromethyl)phenyl]methyl]butanediamide
CID 143135379
4-fluoro-N-[3-methyl-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]butan-2-yl]benzamide
CID 18276547
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide
CID 20717933
2-[3,5-bis(trifluoromethyl)phenyl]-N-methylacetamide
CID 22370523

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methyl-2-(methylamino)butanamide?
The IUPAC name of (2R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methyl-2-(methylamino)butanamide (CID 90256548) is (2R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methyl-2-(methylamino)butanamide.
What is the SMILES notation for (2R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methyl-2-(methylamino)butanamide?
The canonical SMILES for (2R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methyl-2-(methylamino)butanamide is CN[C@@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(C)C.
What is the InChIKey of (2R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methyl-2-(methylamino)butanamide?
The InChIKey is IYESZLNQSOXXMS-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18F6N2O/c1-8(2)12(22-3)13(24)23-7-9-4-10(14(16,17)18)6-11(5-9)15(19,20)21/h4-6,8,12,22H,7H2,1-3H3,(H,23,24)/t12-/m1/s1.
What are the key properties of (2R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methyl-2-(methylamino)butanamide?
(2R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methyl-2-(methylamino)butanamide has a molecular weight of 356.31 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methyl-2-(methylamino)butanamide is sourced from PubChem (CID 90256548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).