N-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]-2-methylbutanamide

C11H23FN2O2 — CID 166800912

IUPACN-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]-2-methylbutanamide
SMILESCCC(C)C(=O)NCC(F)COCCNC
InChIInChI=1S/C11H23FN2O2/c1-4-9(2)11(15)14-7-10(12)8-16-6-5-13-3/h9-10,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyQCTRGCADRCLXMZ-UHFFFAOYSA-N
MW234.31 g/mol
LogP0.72
Rot. Bonds9

About N-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]-2-methylbutanamide

N-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]-2-methylbutanamide (PubChem CID 166800912) has the molecular formula C11H23FN2O2 and a molecular weight of 234.31 g/mol. Its IUPAC name is N-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]-2-methylbutanamide
PubChem CID166800912
Molecular FormulaC11H23FN2O2
Molecular Weight234.31 g/mol
Exact Mass234.17
IUPAC NameN-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]-2-methylbutanamide
SMILESCCC(C)C(=O)NCC(F)COCCNC
InChIInChI=1S/C11H23FN2O2/c1-4-9(2)11(15)14-7-10(12)8-16-6-5-13-3/h9-10,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyQCTRGCADRCLXMZ-UHFFFAOYSA-N
XLogP0.72
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 50.72
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

2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
CID 60730648
4,4,4-trifluoro-3-methyl-N-(2-morpholin-4-ylethyl)butanamide
CID 89623856
N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylbutanamide
CID 138726924
N-[2-fluoro-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propyl]-2-methylpropanamide
CID 138726925
N-[2-fluoro-3-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide
CID 138727027
N-[3-[2-[2-[2-[2-(ethylamino)ethoxy]ethylamino]ethoxy]ethoxy]-2-fluoro-3-methylbutyl]-2-methylpropanamide
CID 138727075
N-[3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluoropropyl]-2-methylpropanamide
CID 138727241
N-[2-fluoro-3-methyl-3-[2-[2-(methylamino)ethoxy]ethoxy]butyl]-2-methylpropanamide
CID 138727262
N-[2-fluoro-3-methyl-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butyl]propanamide
CID 138727265
N-[2-fluoro-3-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide
CID 138727778
N-[2-fluoro-3-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylbutanamide
CID 138727784
N-[2-fluoro-3-methyl-3-[2-(propan-2-ylamino)ethoxy]butyl]propanamide
CID 138727902

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]-2-methylbutanamide?
The IUPAC name of N-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]-2-methylbutanamide (CID 166800912) is N-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]-2-methylbutanamide.
What is the SMILES notation for N-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]-2-methylbutanamide?
The canonical SMILES for N-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]-2-methylbutanamide is CCC(C)C(=O)NCC(F)COCCNC.
What is the InChIKey of N-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]-2-methylbutanamide?
The InChIKey is QCTRGCADRCLXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23FN2O2/c1-4-9(2)11(15)14-7-10(12)8-16-6-5-13-3/h9-10,13H,4-8H2,1-3H3,(H,14,15).
What are the key properties of N-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]-2-methylbutanamide?
N-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]-2-methylbutanamide has a molecular weight of 234.31 g/mol, XLogP of 0.72, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]-2-methylbutanamide is sourced from PubChem (CID 166800912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).