N-[2-fluoro-3-methyl-3-[2-(methylamino)ethoxy]butyl]acetamide

C10H21FN2O2 — CID 155402014

IUPACN-[2-fluoro-3-methyl-3-[2-(methylamino)ethoxy]butyl]acetamide
SMILESCNCCOC(C)(C)C(F)CNC(C)=O
InChIInChI=1S/C10H21FN2O2/c1-8(14)13-7-9(11)10(2,3)15-6-5-12-4/h9,12H,5-7H2,1-4H3,(H,13,14)
InChIKeyACGBJXKTEOVAJC-UHFFFAOYSA-N
MW220.29 g/mol
LogP0.48
Rot. Bonds7

About N-[2-fluoro-3-methyl-3-[2-(methylamino)ethoxy]butyl]acetamide

N-[2-fluoro-3-methyl-3-[2-(methylamino)ethoxy]butyl]acetamide (PubChem CID 155402014) has the molecular formula C10H21FN2O2 and a molecular weight of 220.29 g/mol. Its IUPAC name is N-[2-fluoro-3-methyl-3-[2-(methylamino)ethoxy]butyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-3-methyl-3-[2-(methylamino)ethoxy]butyl]acetamide
PubChem CID155402014
Molecular FormulaC10H21FN2O2
Molecular Weight220.29 g/mol
Exact Mass220.16
IUPAC NameN-[2-fluoro-3-methyl-3-[2-(methylamino)ethoxy]butyl]acetamide
SMILESCNCCOC(C)(C)C(F)CNC(C)=O
InChIInChI=1S/C10H21FN2O2/c1-8(14)13-7-9(11)10(2,3)15-6-5-12-4/h9,12H,5-7H2,1-4H3,(H,13,14)
InChIKeyACGBJXKTEOVAJC-UHFFFAOYSA-N
XLogP0.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethane;N-[2-fluoro-3-methyl-3-[2-[2-(methylamino)ethoxy]ethoxy]butyl]acetamide
CID 142623147
N-[2-fluoro-3-(2-hydrazinylethoxy)-3-methylbutyl]acetamide
CID 166461529
N-[3-[2-[2-(2-aminoethoxy)ethylamino]ethoxy]-2-fluoro-3-methylbutyl]acetamide;ethane;molecular hydrogen
CID 142623156
2-ethyl-N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]pentanamide
CID 170007769
N-[2,3-dimethyl-3-[2-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]ethoxy]butyl]acetamide
CID 170218773
N-(2,3,3,3-tetrafluoropropyl)acetamide
CID 130011160
2-(4-acetamido-3-fluoro-2-methylbutan-2-yl)oxy-N-[2-[2-[2-(methylsulfanylamino)ethoxy]ethoxy]ethyl]acetamide
CID 170061578
N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]propyl]acetamide
CID 142616700
N-[3-[2-[2-[2-(tert-butylamino)ethoxy]ethylamino]ethoxy]-2-fluoro-3-methylbutyl]-2-methylpropanamide
CID 138727987
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide
CID 54494115
N-[2-fluoro-3-[3-[3-(methylamino)propoxy]propoxy]propyl]acetamide
CID 153390576
N-[2-fluoro-3-methyl-3-[2-[2-[2-(1-sulfanylethylamino)ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide
CID 167191784

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-methyl-3-[2-(methylamino)ethoxy]butyl]acetamide?
The IUPAC name of N-[2-fluoro-3-methyl-3-[2-(methylamino)ethoxy]butyl]acetamide (CID 155402014) is N-[2-fluoro-3-methyl-3-[2-(methylamino)ethoxy]butyl]acetamide.
What is the SMILES notation for N-[2-fluoro-3-methyl-3-[2-(methylamino)ethoxy]butyl]acetamide?
The canonical SMILES for N-[2-fluoro-3-methyl-3-[2-(methylamino)ethoxy]butyl]acetamide is CNCCOC(C)(C)C(F)CNC(C)=O.
What is the InChIKey of N-[2-fluoro-3-methyl-3-[2-(methylamino)ethoxy]butyl]acetamide?
The InChIKey is ACGBJXKTEOVAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN2O2/c1-8(14)13-7-9(11)10(2,3)15-6-5-12-4/h9,12H,5-7H2,1-4H3,(H,13,14).
What are the key properties of N-[2-fluoro-3-methyl-3-[2-(methylamino)ethoxy]butyl]acetamide?
N-[2-fluoro-3-methyl-3-[2-(methylamino)ethoxy]butyl]acetamide has a molecular weight of 220.29 g/mol, XLogP of 0.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-methyl-3-[2-(methylamino)ethoxy]butyl]acetamide is sourced from PubChem (CID 155402014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).