N-(1-amino-3-methylpentan-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide

C10H19F3N2O2 — CID 114152504

IUPACN-(1-amino-3-methylpentan-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCC(C)(CCN)NC(=O)COCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-3-9(2,4-5-14)15-8(16)6-17-7-10(11,12)13/h3-7,14H2,1-2H3,(H,15,16)
InChIKeyFDBUPHOTDZSASW-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.20
Rot. Bonds7

About N-(1-amino-3-methylpentan-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(1-amino-3-methylpentan-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 114152504) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is N-(1-amino-3-methylpentan-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(1-amino-3-methylpentan-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID114152504
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC NameN-(1-amino-3-methylpentan-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCC(C)(CCN)NC(=O)COCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-3-9(2,4-5-14)15-8(16)6-17-7-10(11,12)13/h3-7,14H2,1-2H3,(H,15,16)
InChIKeyFDBUPHOTDZSASW-UHFFFAOYSA-N
XLogP1.20
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[3-(tert-butylamino)-2-fluoropropoxy]-2,2-difluoropropyl]-2-ethoxyacetamide
CID 146574408
2-(2-amino-2-ethylbutoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 64573370
2-(2-amino-2-methylbutoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 64573604
2-[3-(aminomethyl)pentan-3-yloxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 65050804
N-(4-methylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 86990487
N-(1-aminopentan-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103205456
N-(1-pyrrolidin-3-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103206380
N-(1-piperidin-4-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103206901
1-[4-Methyl-4-(methylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 103209698
N-(4-methylpiperidin-4-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209751
N-[1-(aminomethyl)cyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212917
N-(1-amino-2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212927

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methylpentan-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(1-amino-3-methylpentan-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 114152504) is N-(1-amino-3-methylpentan-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(1-amino-3-methylpentan-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(1-amino-3-methylpentan-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide is CCC(C)(CCN)NC(=O)COCC(F)(F)F.
What is the InChIKey of N-(1-amino-3-methylpentan-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is FDBUPHOTDZSASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-3-9(2,4-5-14)15-8(16)6-17-7-10(11,12)13/h3-7,14H2,1-2H3,(H,15,16).
What are the key properties of N-(1-amino-3-methylpentan-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(1-amino-3-methylpentan-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 256.27 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methylpentan-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 114152504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).