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

C13H17F3N2O2 — CID 24691365

IUPAC2-amino-4-methyl-N-[3-(trifluoromethoxy)phenyl]pentanamide
SMILESCC(C)CC(N)C(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O2/c1-8(2)6-11(17)12(19)18-9-4-3-5-10(7-9)20-13(14,15)16/h3-5,7-8,11H,6,17H2,1-2H3,(H,18,19)
InChIKeyGHSHMIBBKMNOCX-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.90
Rot. Bonds5

About 2-amino-4-methyl-N-[3-(trifluoromethoxy)phenyl]pentanamide

2-amino-4-methyl-N-[3-(trifluoromethoxy)phenyl]pentanamide (PubChem CID 24691365) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-amino-4-methyl-N-[3-(trifluoromethoxy)phenyl]pentanamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-[3-(trifluoromethoxy)phenyl]pentanamide
PubChem CID24691365
Molecular FormulaC13H17F3N2O2
Molecular Weight290.29 g/mol
Exact Mass290.12
IUPAC Name2-amino-4-methyl-N-[3-(trifluoromethoxy)phenyl]pentanamide
SMILESCC(C)CC(N)C(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O2/c1-8(2)6-11(17)12(19)18-9-4-3-5-10(7-9)20-13(14,15)16/h3-5,7-8,11H,6,17H2,1-2H3,(H,18,19)
InChIKeyGHSHMIBBKMNOCX-UHFFFAOYSA-N
XLogP2.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]-4-methylpentanamide;hydrochloride
CID 119707765
(2R)-2-amino-4,4,4-trifluoro-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 135386298
2-amino-4-methoxy-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 62473347
(2S)-2-amino-4-methyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]pentanamide;hydrochloride
CID 119727329
(2R)-2-amino-4-methyl-N-[3-(2-methylpropoxy)phenyl]pentanamide
CID 39378942
(2R)-2-amino-4-methylsulfanyl-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 104906851
2-amino-3-(methanesulfonamido)-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 135387411
(2S)-2-(methylamino)-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 68650128
(2R)-2-amino-N-[3-(cyanomethoxy)phenyl]-4-methylpentanamide
CID 104902849
1-(3-methylbutyl)-3-[3-(trifluoromethoxy)phenyl]urea
CID 47201851
(2S)-2-amino-N-(3-aminophenyl)-4-methylpentanamide
CID 110482503
(2S)-2-amino-4-methyl-N-(3-methylphenyl)pentanamide
CID 22691033

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-[3-(trifluoromethoxy)phenyl]pentanamide?
The IUPAC name of 2-amino-4-methyl-N-[3-(trifluoromethoxy)phenyl]pentanamide (CID 24691365) is 2-amino-4-methyl-N-[3-(trifluoromethoxy)phenyl]pentanamide.
What is the SMILES notation for 2-amino-4-methyl-N-[3-(trifluoromethoxy)phenyl]pentanamide?
The canonical SMILES for 2-amino-4-methyl-N-[3-(trifluoromethoxy)phenyl]pentanamide is CC(C)CC(N)C(=O)Nc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-amino-4-methyl-N-[3-(trifluoromethoxy)phenyl]pentanamide?
The InChIKey is GHSHMIBBKMNOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-8(2)6-11(17)12(19)18-9-4-3-5-10(7-9)20-13(14,15)16/h3-5,7-8,11H,6,17H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-4-methyl-N-[3-(trifluoromethoxy)phenyl]pentanamide?
2-amino-4-methyl-N-[3-(trifluoromethoxy)phenyl]pentanamide has a molecular weight of 290.29 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-[3-(trifluoromethoxy)phenyl]pentanamide is sourced from PubChem (CID 24691365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).