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

C15H21F3N2O2 — CID 119736730

IUPAC2-amino-3-methyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]pentanamide
SMILESCCC(C)C(N)C(=O)NCCOc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H21F3N2O2/c1-3-10(2)13(19)14(21)20-7-8-22-12-6-4-5-11(9-12)15(16,17)18/h4-6,9-10,13H,3,7-8,19H2,1-2H3,(H,20,21)
InChIKeyWGONRHBYBUZKBJ-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.57
Rot. Bonds7

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

2-amino-3-methyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]pentanamide (PubChem CID 119736730) has the molecular formula C15H21F3N2O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]pentanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]pentanamide
PubChem CID119736730
Molecular FormulaC15H21F3N2O2
Molecular Weight318.34 g/mol
Exact Mass318.16
IUPAC Name2-amino-3-methyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]pentanamide
SMILESCCC(C)C(N)C(=O)NCCOc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H21F3N2O2/c1-3-10(2)13(19)14(21)20-7-8-22-12-6-4-5-11(9-12)15(16,17)18/h4-6,9-10,13H,3,7-8,19H2,1-2H3,(H,20,21)
InChIKeyWGONRHBYBUZKBJ-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

(2R)-2-amino-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide
CID 119296655
(2S)-2-amino-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide;hydrochloride
CID 119296638
(2S)-2-amino-N-[2-(3-fluorophenoxy)ethyl]-3-methylpentanamide
CID 110482529
(2S)-2-amino-3,3-dimethyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]butanamide
CID 119736716
2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]butanamide
CID 85462760
3-amino-2-methyl-3-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide;hydrochloride
CID 119736709
2-amino-3-methyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]pentanamide
CID 119778077
2-amino-3-methyl-N-[3-(trifluoromethyl)phenyl]pentanamide
CID 24706834
2-amino-2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide
CID 120589464
4-ethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30350028
2-amino-2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide;hydrochloride
CID 120589463
2-amino-N-[2-(3-fluorophenoxy)ethyl]-3-methylbutanamide
CID 110481408

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]pentanamide?
The IUPAC name of 2-amino-3-methyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]pentanamide (CID 119736730) is 2-amino-3-methyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]pentanamide.
What is the SMILES notation for 2-amino-3-methyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]pentanamide?
The canonical SMILES for 2-amino-3-methyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]pentanamide is CCC(C)C(N)C(=O)NCCOc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-amino-3-methyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]pentanamide?
The InChIKey is WGONRHBYBUZKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O2/c1-3-10(2)13(19)14(21)20-7-8-22-12-6-4-5-11(9-12)15(16,17)18/h4-6,9-10,13H,3,7-8,19H2,1-2H3,(H,20,21).
What are the key properties of 2-amino-3-methyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]pentanamide?
2-amino-3-methyl-N-[2-[3-(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-[3-(trifluoromethyl)phenoxy]ethyl]pentanamide is sourced from PubChem (CID 119736730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).