2-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]pentanamide

C14H19F3N2O2 — CID 60848771

IUPAC2-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]pentanamide
SMILESCCCC(C)(N)C(=O)Nc1ccccc1OCC(F)(F)F
InChIInChI=1S/C14H19F3N2O2/c1-3-8-13(2,18)12(20)19-10-6-4-5-7-11(10)21-9-14(15,16)17/h4-7H,3,8-9,18H2,1-2H3,(H,19,20)
InChIKeyYOSACGWDYYFTKB-UHFFFAOYSA-N
MW304.31 g/mol
LogP3.08
Rot. Bonds6

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

2-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]pentanamide (PubChem CID 60848771) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]pentanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]pentanamide
PubChem CID60848771
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name2-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]pentanamide
SMILESCCCC(C)(N)C(=O)Nc1ccccc1OCC(F)(F)F
InChIInChI=1S/C14H19F3N2O2/c1-3-8-13(2,18)12(20)19-10-6-4-5-7-11(10)21-9-14(15,16)17/h4-7H,3,8-9,18H2,1-2H3,(H,19,20)
InChIKeyYOSACGWDYYFTKB-UHFFFAOYSA-N
XLogP3.08
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(difluoromethoxy)phenyl]-2-methylpentanamide
CID 54928740
2-amino-2-methyl-N-(2-propoxyphenyl)propanamide
CID 61265402
2-[(2-amino-2-methylpentanoyl)amino]benzoic acid
CID 61157007
2-amino-N-(2-tert-butylphenyl)-2-methylpentanamide;hydrochloride
CID 119399942
2-amino-2-methyl-N-(2-propan-2-ylphenyl)pentanamide
CID 60849102
2-amino-2-methyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]pentanamide
CID 119778089
2-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 112685720
2-amino-N-[2-(difluoromethylsulfonyl)phenyl]-2-methylpentanamide
CID 60846853
4-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-3-carboxamide
CID 63714279
tert-butyl N-[2-oxo-2-[2-(2,2,2-trifluoroethoxy)anilino]ethyl]carbamate
CID 60596060
2-bromo-2-methyl-N-(2-propoxyphenyl)propanamide
CID 114327800
2-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]phenoxy]acetic acid
CID 65266651

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]pentanamide?
The IUPAC name of 2-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]pentanamide (CID 60848771) is 2-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]pentanamide.
What is the SMILES notation for 2-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]pentanamide?
The canonical SMILES for 2-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]pentanamide is CCCC(C)(N)C(=O)Nc1ccccc1OCC(F)(F)F.
What is the InChIKey of 2-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]pentanamide?
The InChIKey is YOSACGWDYYFTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-3-8-13(2,18)12(20)19-10-6-4-5-7-11(10)21-9-14(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-(2,2,2-trifluoroethoxy)phenyl]pentanamide?
2-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]pentanamide has a molecular weight of 304.31 g/mol, XLogP of 3.08, 6 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-(2,2,2-trifluoroethoxy)phenyl]pentanamide is sourced from PubChem (CID 60848771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).