N-(2-amino-2-ethylbutyl)-2-[3-(trifluoromethyl)phenoxy]acetamide

C15H21F3N2O2 — CID 119640750

IUPACN-(2-amino-2-ethylbutyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESCCC(N)(CC)CNC(=O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H21F3N2O2/c1-3-14(19,4-2)10-20-13(21)9-22-12-7-5-6-11(8-12)15(16,17)18/h5-8H,3-4,9-10,19H2,1-2H3,(H,20,21)
InChIKeyXDUDYBGQUIIFSW-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.72
Rot. Bonds7

About N-(2-amino-2-ethylbutyl)-2-[3-(trifluoromethyl)phenoxy]acetamide

N-(2-amino-2-ethylbutyl)-2-[3-(trifluoromethyl)phenoxy]acetamide (PubChem CID 119640750) has the molecular formula C15H21F3N2O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2-[3-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
PubChem CID119640750
Molecular FormulaC15H21F3N2O2
Molecular Weight318.34 g/mol
Exact Mass318.16
IUPAC NameN-(2-amino-2-ethylbutyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESCCC(N)(CC)CNC(=O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H21F3N2O2/c1-3-14(19,4-2)10-20-13(21)9-22-12-7-5-6-11(8-12)15(16,17)18/h5-8H,3-4,9-10,19H2,1-2H3,(H,20,21)
InChIKeyXDUDYBGQUIIFSW-UHFFFAOYSA-N
XLogP2.72
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-ethylbutyl)-2-naphthalen-2-yloxyacetamide
CID 119639639
N-(3-aminopropyl)-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride
CID 119405880
N,N-dimethyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]acetamide
CID 9480621
2-phenoxy-N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]acetamide
CID 90575880
1-[3-(trifluoromethyl)phenoxy]propan-2-one
CID 14574936
2-[3-(trifluoromethyl)phenoxy]acetamide
CID 18954833
methyl 3-methyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]pentanoate
CID 112791627
2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 100757803
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 9473964
N-(2-amino-2-ethylbutyl)-4-(3-fluorophenoxy)butanamide
CID 119642968
N-(3-ethylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 34280640
N-methyl-4-[[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]methyl]benzamide
CID 55590785

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2-[3-(trifluoromethyl)phenoxy]acetamide (CID 119640750) is N-(2-amino-2-ethylbutyl)-2-[3-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2-[3-(trifluoromethyl)phenoxy]acetamide is CCC(N)(CC)CNC(=O)COc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is XDUDYBGQUIIFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O2/c1-3-14(19,4-2)10-20-13(21)9-22-12-7-5-6-11(8-12)15(16,17)18/h5-8H,3-4,9-10,19H2,1-2H3,(H,20,21).
What are the key properties of N-(2-amino-2-ethylbutyl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
N-(2-amino-2-ethylbutyl)-2-[3-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 318.34 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-2-[3-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 119640750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).