N-(5-amino-2,2-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide

C11H21F3N2O2 — CID 106140643

IUPACN-(5-amino-2,2-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(C)(CCCN)CNC(=O)COCC(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-10(2,4-3-5-15)7-16-9(17)6-18-8-11(12,13)14/h3-8,15H2,1-2H3,(H,16,17)
InChIKeyFUBSRMGSHLFIOS-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.45
Rot. Bonds8

About N-(5-amino-2,2-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(5-amino-2,2-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 106140643) has the molecular formula C11H21F3N2O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-(5-amino-2,2-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(5-amino-2,2-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID106140643
Molecular FormulaC11H21F3N2O2
Molecular Weight270.29 g/mol
Exact Mass270.16
IUPAC NameN-(5-amino-2,2-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(C)(CCCN)CNC(=O)COCC(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-10(2,4-3-5-15)7-16-9(17)6-18-8-11(12,13)14/h3-8,15H2,1-2H3,(H,16,17)
InChIKeyFUBSRMGSHLFIOS-UHFFFAOYSA-N
XLogP1.45
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-fluoro-4,4-dimethyl-3-oxopentyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 166979429
N-[(1R)-1-fluoro-4,4-dimethyl-3-oxopentyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 167026070
N-[(1S)-1-fluoro-4,4-dimethyl-3-oxopentyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 167026071
N-[(2R)-2-fluoro-4,4-dimethyl-3-oxopentyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 167026076
N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 45823382
2-(2,2,2-trifluoroethoxy)-N-(2,2,6-trimethylheptan-3-yl)propanamide
CID 60316467
2-[2-(propylamino)ethoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 62337065
2-[3-(aminomethyl)pentan-3-yloxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 65050804
2-(1-amino-2-methylbutan-2-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide
CID 65053801
6-amino-4,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]hexanamide
CID 65291287
3,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide
CID 78846849
2-(2-Aminoethoxy)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 79472973

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,2-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(5-amino-2,2-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 106140643) is N-(5-amino-2,2-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(5-amino-2,2-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(5-amino-2,2-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide is CC(C)(CCCN)CNC(=O)COCC(F)(F)F.
What is the InChIKey of N-(5-amino-2,2-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is FUBSRMGSHLFIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2/c1-10(2,4-3-5-15)7-16-9(17)6-18-8-11(12,13)14/h3-8,15H2,1-2H3,(H,16,17).
What are the key properties of N-(5-amino-2,2-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(5-amino-2,2-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 270.29 g/mol, XLogP of 1.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,2-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 106140643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).