2-amino-4-methoxy-N-[3-(trifluoromethoxy)phenyl]butanamide

C12H15F3N2O3 — CID 62473347

IUPAC2-amino-4-methoxy-N-[3-(trifluoromethoxy)phenyl]butanamide
SMILESCOCCC(N)C(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O3/c1-19-6-5-10(16)11(18)17-8-3-2-4-9(7-8)20-12(13,14)15/h2-4,7,10H,5-6,16H2,1H3,(H,17,18)
InChIKeyRVHODLBDKJUPJU-UHFFFAOYSA-N
MW292.26 g/mol
LogP1.89
Rot. Bonds6

About 2-amino-4-methoxy-N-[3-(trifluoromethoxy)phenyl]butanamide

2-amino-4-methoxy-N-[3-(trifluoromethoxy)phenyl]butanamide (PubChem CID 62473347) has the molecular formula C12H15F3N2O3 and a molecular weight of 292.26 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-[3-(trifluoromethoxy)phenyl]butanamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-[3-(trifluoromethoxy)phenyl]butanamide
PubChem CID62473347
Molecular FormulaC12H15F3N2O3
Molecular Weight292.26 g/mol
Exact Mass292.10
IUPAC Name2-amino-4-methoxy-N-[3-(trifluoromethoxy)phenyl]butanamide
SMILESCOCCC(N)C(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O3/c1-19-6-5-10(16)11(18)17-8-3-2-4-9(7-8)20-12(13,14)15/h2-4,7,10H,5-6,16H2,1H3,(H,17,18)
InChIKeyRVHODLBDKJUPJU-UHFFFAOYSA-N
XLogP1.89
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-methyl-N-[3-(trifluoromethoxy)phenyl]pentanamide
CID 24691365
(2R)-2-amino-4-methylsulfanyl-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 104906851
(2R)-2-amino-4,4,4-trifluoro-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 135386298
methyl 3-[(2-amino-4-methoxybutanoyl)amino]benzoate
CID 62475767
2-amino-3-(methanesulfonamido)-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 135387411
2-amino-5-methoxy-N-(3-propoxyphenyl)pentanamide
CID 81082999
2-amino-5-methoxy-N-[3-(2-methylpropoxy)phenyl]pentanamide
CID 81071451
4-amino-5-[3-(2-methoxyethoxy)anilino]-5-oxopentanoic acid
CID 64890275
2-methoxy-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 60725062
(2S)-2-(methylamino)-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 68650128
2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908
2-amino-3-(1,3-thiazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 135387018

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-[3-(trifluoromethoxy)phenyl]butanamide?
The IUPAC name of 2-amino-4-methoxy-N-[3-(trifluoromethoxy)phenyl]butanamide (CID 62473347) is 2-amino-4-methoxy-N-[3-(trifluoromethoxy)phenyl]butanamide.
What is the SMILES notation for 2-amino-4-methoxy-N-[3-(trifluoromethoxy)phenyl]butanamide?
The canonical SMILES for 2-amino-4-methoxy-N-[3-(trifluoromethoxy)phenyl]butanamide is COCCC(N)C(=O)Nc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-amino-4-methoxy-N-[3-(trifluoromethoxy)phenyl]butanamide?
The InChIKey is RVHODLBDKJUPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3/c1-19-6-5-10(16)11(18)17-8-3-2-4-9(7-8)20-12(13,14)15/h2-4,7,10H,5-6,16H2,1H3,(H,17,18).
What are the key properties of 2-amino-4-methoxy-N-[3-(trifluoromethoxy)phenyl]butanamide?
2-amino-4-methoxy-N-[3-(trifluoromethoxy)phenyl]butanamide has a molecular weight of 292.26 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-N-[3-(trifluoromethoxy)phenyl]butanamide is sourced from PubChem (CID 62473347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).