2-[(4-methoxy-2,2-dimethylbutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide

C12H23F3N2O2 — CID 104624273

IUPAC2-[(4-methoxy-2,2-dimethylbutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCOCCC(C)(C)CNC(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C12H23F3N2O2/c1-9(10(18)17-8-12(13,14)15)16-7-11(2,3)5-6-19-4/h9,16H,5-8H2,1-4H3,(H,17,18)
InChIKeyLKYQLEQPLQQPPM-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.71
Rot. Bonds8

About 2-[(4-methoxy-2,2-dimethylbutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide

2-[(4-methoxy-2,2-dimethylbutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 104624273) has the molecular formula C12H23F3N2O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-[(4-methoxy-2,2-dimethylbutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[(4-methoxy-2,2-dimethylbutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID104624273
Molecular FormulaC12H23F3N2O2
Molecular Weight284.32 g/mol
Exact Mass284.17
IUPAC Name2-[(4-methoxy-2,2-dimethylbutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCOCCC(C)(C)CNC(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C12H23F3N2O2/c1-9(10(18)17-8-12(13,14)15)16-7-11(2,3)5-6-19-4/h9,16H,5-8H2,1-4H3,(H,17,18)
InChIKeyLKYQLEQPLQQPPM-UHFFFAOYSA-N
XLogP1.71
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N,3,3-tetramethyl-2-(2,2,2-trifluoroacetamido)butanamide
CID 172907235
3,3-dimethyl-N-propyl-2-(2,2,2-trifluoroacetamido)butanamide
CID 172907243
N-(t-butyl)-3,3-dimethyl-2-(2,2,2-trifluoroacetamido)-butanamide
CID 172907255
(2S)-N,3,3-trimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 12054385
2,2,2-trifluoroethyl N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)carbamate
CID 54003824
2-amino-3,3-dimethyl-N-(3,3,3-trifluoropropyl)butanamide
CID 76988357
2-amino-N-(2,2-difluoroethyl)-3,3-dimethylbutanamide
CID 87622940
N-(2,2-difluoroethyl)-2-(2,2-dimethylpropanoylamino)-3-methylbutanamide
CID 130396745
(2R)-N-(2,2-difluoroethyl)-2-(2,2-dimethylpropanoylamino)-3-methylbutanamide
CID 130396777
methyl N-[(2S)-1-amino-4,4,4-trifluoro-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 135301737
N,3,3-trimethyl-2-(3,3,3-trifluoropropanoylamino)butanamide
CID 145466442
[4,4,4-Trifluoro-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]azanium
CID 146941197

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-2,2-dimethylbutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[(4-methoxy-2,2-dimethylbutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide (CID 104624273) is 2-[(4-methoxy-2,2-dimethylbutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[(4-methoxy-2,2-dimethylbutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[(4-methoxy-2,2-dimethylbutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide is COCCC(C)(C)CNC(C)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[(4-methoxy-2,2-dimethylbutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is LKYQLEQPLQQPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O2/c1-9(10(18)17-8-12(13,14)15)16-7-11(2,3)5-6-19-4/h9,16H,5-8H2,1-4H3,(H,17,18).
What are the key properties of 2-[(4-methoxy-2,2-dimethylbutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[(4-methoxy-2,2-dimethylbutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 284.32 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-2,2-dimethylbutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 104624273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).