4-amino-2-methyl-N-[4-(trifluoromethoxy)phenyl]butanamide

C12H15F3N2O2 — CID 80542337

IUPAC4-amino-2-methyl-N-[4-(trifluoromethoxy)phenyl]butanamide
SMILESCC(CCN)C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O2/c1-8(6-7-16)11(18)17-9-2-4-10(5-3-9)19-12(13,14)15/h2-5,8H,6-7,16H2,1H3,(H,17,18)
InChIKeyFQRLPDARANOLRN-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.51
Rot. Bonds5

About 4-amino-2-methyl-N-[4-(trifluoromethoxy)phenyl]butanamide

4-amino-2-methyl-N-[4-(trifluoromethoxy)phenyl]butanamide (PubChem CID 80542337) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 4-amino-2-methyl-N-[4-(trifluoromethoxy)phenyl]butanamide.

Molecular Properties

Compound Name4-amino-2-methyl-N-[4-(trifluoromethoxy)phenyl]butanamide
PubChem CID80542337
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name4-amino-2-methyl-N-[4-(trifluoromethoxy)phenyl]butanamide
SMILESCC(CCN)C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O2/c1-8(6-7-16)11(18)17-9-2-4-10(5-3-9)19-12(13,14)15/h2-5,8H,6-7,16H2,1H3,(H,17,18)
InChIKeyFQRLPDARANOLRN-UHFFFAOYSA-N
XLogP2.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminobutan-2-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 115564848
4-amino-2-methyl-N-[4-(trifluoromethyl)phenyl]butanamide
CID 80542056
1-(4-amino-2-methylbutyl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 115565179
N-(4-acetamidophenyl)-4-amino-2-methylbutanamide
CID 80542104
(2S)-2-chloro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 2304863
(2S)-2-amino-3-methyl-N-[4-(trifluoromethoxy)phenyl]pentanamide
CID 61172450
4-amino-2-methyl-N-[4-(trifluoromethylsulfanyl)phenyl]butanamide
CID 80543411
1-(1-aminopentan-3-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 115564852
propan-2-yl 4-[(4-amino-2-methylbutanoyl)amino]benzoate
CID 80543550
N-(4-acetylphenyl)-4-amino-2-methylbutanamide
CID 80543884
(2S)-2-amino-4-methylsulfanyl-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 61149114
[2-(methylamino)-2-oxoethyl]-[(2R)-1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]azanium
CID 8772127

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-N-[4-(trifluoromethoxy)phenyl]butanamide?
The IUPAC name of 4-amino-2-methyl-N-[4-(trifluoromethoxy)phenyl]butanamide (CID 80542337) is 4-amino-2-methyl-N-[4-(trifluoromethoxy)phenyl]butanamide.
What is the SMILES notation for 4-amino-2-methyl-N-[4-(trifluoromethoxy)phenyl]butanamide?
The canonical SMILES for 4-amino-2-methyl-N-[4-(trifluoromethoxy)phenyl]butanamide is CC(CCN)C(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 4-amino-2-methyl-N-[4-(trifluoromethoxy)phenyl]butanamide?
The InChIKey is FQRLPDARANOLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-8(6-7-16)11(18)17-9-2-4-10(5-3-9)19-12(13,14)15/h2-5,8H,6-7,16H2,1H3,(H,17,18).
What are the key properties of 4-amino-2-methyl-N-[4-(trifluoromethoxy)phenyl]butanamide?
4-amino-2-methyl-N-[4-(trifluoromethoxy)phenyl]butanamide has a molecular weight of 276.26 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-N-[4-(trifluoromethoxy)phenyl]butanamide is sourced from PubChem (CID 80542337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).