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

C12H15F3N2O2 — CID 61258869

IUPAC3-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide
SMILESCC(N)CC(=O)NCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O2/c1-8(16)6-11(18)17-7-9-2-4-10(5-3-9)19-12(13,14)15/h2-5,8H,6-7,16H2,1H3,(H,17,18)
InChIKeyKPVKKFIMASJJOZ-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.94
Rot. Bonds5

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

3-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide (PubChem CID 61258869) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 3-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide
PubChem CID61258869
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name3-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide
SMILESCC(N)CC(=O)NCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O2/c1-8(16)6-11(18)17-7-9-2-4-10(5-3-9)19-12(13,14)15/h2-5,8H,6-7,16H2,1H3,(H,17,18)
InChIKeyKPVKKFIMASJJOZ-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3,3-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide
CID 61260128
2-[4-(trifluoromethoxy)phenyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 112829044
2-amino-3-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide
CID 61258507
(2R)-2-amino-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 54757279
2-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide
CID 61258868
3-amino-N-[[4-(2-hydroxyethoxy)phenyl]methyl]butanamide
CID 119758174
3-amino-N-[(4-hydroxyphenyl)methyl]butanamide
CID 114332164
2-bromo-3-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide
CID 43168090
2-[methyl-[2-oxo-2-[[4-(trifluoromethoxy)phenyl]methylamino]ethyl]amino]propanoic acid;hydrochloride
CID 119912945
2-(2-methoxyethoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 103606582
2-(3,4-dimethylphenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 24646594
3-(ethylamino)-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 62838028

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide?
The IUPAC name of 3-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide (CID 61258869) is 3-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide.
What is the SMILES notation for 3-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide?
The canonical SMILES for 3-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide is CC(N)CC(=O)NCc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide?
The InChIKey is KPVKKFIMASJJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-8(16)6-11(18)17-7-9-2-4-10(5-3-9)19-12(13,14)15/h2-5,8H,6-7,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide?
3-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide has a molecular weight of 276.26 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide is sourced from PubChem (CID 61258869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).