2-amino-2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide

C14H19F3N2O — CID 62880973

IUPAC2-amino-2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide
SMILESCCCC(C)(N)C(=O)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C14H19F3N2O/c1-3-8-13(2,18)12(20)19-9-10-6-4-5-7-11(10)14(15,16)17/h4-7H,3,8-9,18H2,1-2H3,(H,19,20)
InChIKeyXNUJYDQWQMFEPW-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.84
Rot. Bonds5

About 2-amino-2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide

2-amino-2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide (PubChem CID 62880973) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide
PubChem CID62880973
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name2-amino-2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide
SMILESCCCC(C)(N)C(=O)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C14H19F3N2O/c1-3-8-13(2,18)12(20)19-9-10-6-4-5-7-11(10)14(15,16)17/h4-7H,3,8-9,18H2,1-2H3,(H,19,20)
InChIKeyXNUJYDQWQMFEPW-UHFFFAOYSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2,2-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride
CID 119705501
2-amino-2-cyclopropyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 62879952
2-amino-2-methyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]pentanamide
CID 119778089
2-amino-2-methyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]pentanamide;hydrochloride
CID 119718098
2-amino-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 62879781
2-amino-N-[2-(2-fluorophenyl)ethyl]-2-methylpentanamide;hydrochloride
CID 119688573
2-amino-N-[(2-fluorophenyl)methyl]-2-methylbutanamide
CID 79796502
2-amino-2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pentanamide;dihydrochloride
CID 119846813
2-amino-N-(2-tert-butylphenyl)-2-methylpentanamide;hydrochloride
CID 119399942
2-(ethylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 55129029
(2S)-2-amino-3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide
CID 62879432
2-amino-N-[(2-chlorophenyl)methyl]-2-methylbutanamide
CID 79796852

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide?
The IUPAC name of 2-amino-2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide (CID 62880973) is 2-amino-2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide.
What is the SMILES notation for 2-amino-2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide?
The canonical SMILES for 2-amino-2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide is CCCC(C)(N)C(=O)NCc1ccccc1C(F)(F)F.
What is the InChIKey of 2-amino-2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide?
The InChIKey is XNUJYDQWQMFEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-3-8-13(2,18)12(20)19-9-10-6-4-5-7-11(10)14(15,16)17/h4-7H,3,8-9,18H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide?
2-amino-2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide has a molecular weight of 288.31 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide is sourced from PubChem (CID 62880973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).