2-amino-3-methyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]pentanamide

C15H21F3N2O2 — CID 119778077

IUPAC2-amino-3-methyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]pentanamide
SMILESCCC(C)C(N)C(=O)NCCOc1ccccc1C(F)(F)F
InChIInChI=1S/C15H21F3N2O2/c1-3-10(2)13(19)14(21)20-8-9-22-12-7-5-4-6-11(12)15(16,17)18/h4-7,10,13H,3,8-9,19H2,1-2H3,(H,20,21)
InChIKeyPEQLLWZWOQFQMS-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.57
Rot. Bonds7

About 2-amino-3-methyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]pentanamide

2-amino-3-methyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]pentanamide (PubChem CID 119778077) has the molecular formula C15H21F3N2O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]pentanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]pentanamide
PubChem CID119778077
Molecular FormulaC15H21F3N2O2
Molecular Weight318.34 g/mol
Exact Mass318.16
IUPAC Name2-amino-3-methyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]pentanamide
SMILESCCC(C)C(N)C(=O)NCCOc1ccccc1C(F)(F)F
InChIInChI=1S/C15H21F3N2O2/c1-3-10(2)13(19)14(21)20-8-9-22-12-7-5-4-6-11(12)15(16,17)18/h4-7,10,13H,3,8-9,19H2,1-2H3,(H,20,21)
InChIKeyPEQLLWZWOQFQMS-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide
CID 62879432
2-amino-3-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]pentanamide
CID 119784411
(2S)-2-amino-3-methyl-N-[2-(trifluoromethyl)phenyl]pentanamide;hydrochloride
CID 52986036
2-amino-3-methyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide
CID 119744429
2-amino-3-methyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]pentanamide
CID 119736730
[2-(trifluoromethyl)phenyl] 2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetate
CID 69130043
2-amino-2-methyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]pentanamide
CID 119778089
2-amino-N-[2-(2,6-dimethylphenoxy)ethyl]-3-methylpentanamide;hydrochloride
CID 119734945
(2S)-2-amino-N-[2-(3-fluorophenoxy)ethyl]-3-methylpentanamide
CID 110482529
1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 112971460
N-[2-(2-methoxyphenoxy)ethyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 46546443
2-methyl-1-propan-2-yl-3-[2-[2-(trifluoromethyl)phenoxy]ethyl]guanidine
CID 111780519

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]pentanamide?
The IUPAC name of 2-amino-3-methyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]pentanamide (CID 119778077) is 2-amino-3-methyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]pentanamide.
What is the SMILES notation for 2-amino-3-methyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]pentanamide?
The canonical SMILES for 2-amino-3-methyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]pentanamide is CCC(C)C(N)C(=O)NCCOc1ccccc1C(F)(F)F.
What is the InChIKey of 2-amino-3-methyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]pentanamide?
The InChIKey is PEQLLWZWOQFQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O2/c1-3-10(2)13(19)14(21)20-8-9-22-12-7-5-4-6-11(12)15(16,17)18/h4-7,10,13H,3,8-9,19H2,1-2H3,(H,20,21).
What are the key properties of 2-amino-3-methyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]pentanamide?
2-amino-3-methyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]pentanamide has a molecular weight of 318.34 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]pentanamide is sourced from PubChem (CID 119778077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).