N-[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-2,2,2-trifluoroacetamide

C12H23F3N2O2 — CID 143883247

IUPACN-[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-2,2,2-trifluoroacetamide
SMILESCC(C)(N)CCOC(C)(C)CCNC(=O)C(F)(F)F
InChIInChI=1S/C12H23F3N2O2/c1-10(2,16)6-8-19-11(3,4)5-7-17-9(18)12(13,14)15/h5-8,16H2,1-4H3,(H,17,18)
InChIKeyPWFUXBUZCOMIGN-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.98
Rot. Bonds7

About N-[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-2,2,2-trifluoroacetamide

N-[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-2,2,2-trifluoroacetamide (PubChem CID 143883247) has the molecular formula C12H23F3N2O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-2,2,2-trifluoroacetamide
PubChem CID143883247
Molecular FormulaC12H23F3N2O2
Molecular Weight284.32 g/mol
Exact Mass284.17
IUPAC NameN-[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-2,2,2-trifluoroacetamide
SMILESCC(C)(N)CCOC(C)(C)CCNC(=O)C(F)(F)F
InChIInChI=1S/C12H23F3N2O2/c1-10(2,16)6-8-19-11(3,4)5-7-17-9(18)12(13,14)15/h5-8,16H2,1-4H3,(H,17,18)
InChIKeyPWFUXBUZCOMIGN-UHFFFAOYSA-N
XLogP1.98
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-(ethylamino)ethoxy]-2-fluoro-3-methylbutyl]acetamide
CID 142615982
N-[2-fluoro-3-methyl-3-[3-[3-(propan-2-ylamino)propoxy]propoxy]butyl]acetamide
CID 142616512
N-[2-fluoro-3-methyl-3-[2-(propan-2-ylamino)ethoxy]butyl]acetamide
CID 142623124
N-[3-[2-[2-(2-aminoethoxy)ethylamino]ethoxy]-2-fluoro-3-methylbutyl]acetamide
CID 142623157
2,2,2-trifluoro-N-[3-[4-[(2,2,2-trifluoroacetyl)amino]butan-2-yloxy]butyl]acetamide
CID 142800671
N-[3-[3-[3-(ethylamino)propoxy]propoxy]-2-fluoro-3-methylbutyl]acetamide
CID 153390526
N-[2-fluoro-3-methyl-3-[2-(methylamino)ethoxy]butyl]acetamide
CID 155402014
N-[3-[3-methyl-3-(methylamino)butoxy]butyl]carbamoyl fluoride
CID 156411909
N-[2-fluoro-3-methyl-3-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]butyl]acetamide
CID 156490733
N-[3-[3-(tert-butylamino)propoxy]-2-fluoropropyl]propanamide
CID 161286346
N-[3-[3-(tert-butylamino)-2-fluoropropoxy]propyl]propanamide
CID 161286347
N-[3-[3-(tert-butylamino)propoxy]-2,2-difluoropropyl]propanamide
CID 161286348

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-2,2,2-trifluoroacetamide (CID 143883247) is N-[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-2,2,2-trifluoroacetamide is CC(C)(N)CCOC(C)(C)CCNC(=O)C(F)(F)F.
What is the InChIKey of N-[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-2,2,2-trifluoroacetamide?
The InChIKey is PWFUXBUZCOMIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O2/c1-10(2,16)6-8-19-11(3,4)5-7-17-9(18)12(13,14)15/h5-8,16H2,1-4H3,(H,17,18).
What are the key properties of N-[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-2,2,2-trifluoroacetamide?
N-[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-2,2,2-trifluoroacetamide has a molecular weight of 284.32 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 143883247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).