2-amino-2-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pentanamide;hydrochloride

C15H22ClF3N2O2 — CID 119721542

IUPAC2-amino-2-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NCCc1ccc(OC(F)(F)F)cc1.Cl
InChIInChI=1S/C15H21F3N2O2.ClH/c1-3-9-14(2,19)13(21)20-10-8-11-4-6-12(7-5-11)22-15(16,17)18;/h4-7H,3,8-10,19H2,1-2H3,(H,20,21);1H
InChIKeyWEQXSIDYJKOPPA-UHFFFAOYSA-N
MW354.80 g/mol
LogP3.18
Rot. Bonds7

About 2-amino-2-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pentanamide;hydrochloride

2-amino-2-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pentanamide;hydrochloride (PubChem CID 119721542) has the molecular formula C15H22ClF3N2O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-2-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pentanamide;hydrochloride
PubChem CID119721542
Molecular FormulaC15H22ClF3N2O2
Molecular Weight354.80 g/mol
Exact Mass354.13
IUPAC Name2-amino-2-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NCCc1ccc(OC(F)(F)F)cc1.Cl
InChIInChI=1S/C15H21F3N2O2.ClH/c1-3-9-14(2,19)13(21)20-10-8-11-4-6-12(7-5-11)22-15(16,17)18;/h4-7H,3,8-10,19H2,1-2H3,(H,20,21);1H
InChIKeyWEQXSIDYJKOPPA-UHFFFAOYSA-N
XLogP3.18
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide
CID 61259411
2-amino-N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide
CID 60847510
2-amino-2-methyl-N-[2-(4-nitrophenyl)ethyl]pentanamide;hydrochloride
CID 119745886
2-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methylpentanamide
CID 119742406
2-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylpentanamide
CID 119774865
2-amino-N-[2-(2-fluorophenyl)ethyl]-2-methylpentanamide;hydrochloride
CID 119688573
3-amino-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide;hydrochloride
CID 119288366
2-amino-2-methyl-N-(3-phenylpropyl)pentanamide;hydrochloride
CID 119674817
2-amino-N-[2-(2,6-dimethylphenyl)ethyl]-2-methylpentanamide;hydrochloride
CID 119788074
N-ethyl-2-[2-[4-(trifluoromethoxy)phenyl]ethylcarbamoylamino]acetamide
CID 87000141
(2S)-2-amino-3-phenyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide;hydrochloride
CID 119288372
2-amino-2-ethyl-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 68730670

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-2-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pentanamide;hydrochloride (CID 119721542) is 2-amino-2-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-2-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-2-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pentanamide;hydrochloride is CCCC(C)(N)C(=O)NCCc1ccc(OC(F)(F)F)cc1.Cl.
What is the InChIKey of 2-amino-2-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pentanamide;hydrochloride?
The InChIKey is WEQXSIDYJKOPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O2.ClH/c1-3-9-14(2,19)13(21)20-10-8-11-4-6-12(7-5-11)22-15(16,17)18;/h4-7H,3,8-10,19H2,1-2H3,(H,20,21);1H.
What are the key properties of 2-amino-2-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pentanamide;hydrochloride?
2-amino-2-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pentanamide;hydrochloride has a molecular weight of 354.80 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pentanamide;hydrochloride is sourced from PubChem (CID 119721542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).