4-[3-(fluoroamino)-2-methyl-3-oxopropoxy]-N,2-dimethylbutanamide

C10H19FN2O3 — CID 59335532

IUPAC4-[3-(fluoroamino)-2-methyl-3-oxopropoxy]-N,2-dimethylbutanamide
SMILESCNC(=O)C(C)CCOCC(C)C(=O)NF
InChIInChI=1S/C10H19FN2O3/c1-7(9(14)12-3)4-5-16-6-8(2)10(15)13-11/h7-8H,4-6H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyKGAKJJIAWXEGLO-UHFFFAOYSA-N
MW234.27 g/mol
LogP0.41
Rot. Bonds7

About 4-[3-(fluoroamino)-2-methyl-3-oxopropoxy]-N,2-dimethylbutanamide

4-[3-(fluoroamino)-2-methyl-3-oxopropoxy]-N,2-dimethylbutanamide (PubChem CID 59335532) has the molecular formula C10H19FN2O3 and a molecular weight of 234.27 g/mol. Its IUPAC name is 4-[3-(fluoroamino)-2-methyl-3-oxopropoxy]-N,2-dimethylbutanamide.

Molecular Properties

Compound Name4-[3-(fluoroamino)-2-methyl-3-oxopropoxy]-N,2-dimethylbutanamide
PubChem CID59335532
Molecular FormulaC10H19FN2O3
Molecular Weight234.27 g/mol
Exact Mass234.14
IUPAC Name4-[3-(fluoroamino)-2-methyl-3-oxopropoxy]-N,2-dimethylbutanamide
SMILESCNC(=O)C(C)CCOCC(C)C(=O)NF
InChIInChI=1S/C10H19FN2O3/c1-7(9(14)12-3)4-5-16-6-8(2)10(15)13-11/h7-8H,4-6H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyKGAKJJIAWXEGLO-UHFFFAOYSA-N
XLogP0.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(fluoroamino)-2-methyl-3-oxopropoxy]-N,2-dimethylbutanamide?
The IUPAC name of 4-[3-(fluoroamino)-2-methyl-3-oxopropoxy]-N,2-dimethylbutanamide (CID 59335532) is 4-[3-(fluoroamino)-2-methyl-3-oxopropoxy]-N,2-dimethylbutanamide.
What is the SMILES notation for 4-[3-(fluoroamino)-2-methyl-3-oxopropoxy]-N,2-dimethylbutanamide?
The canonical SMILES for 4-[3-(fluoroamino)-2-methyl-3-oxopropoxy]-N,2-dimethylbutanamide is CNC(=O)C(C)CCOCC(C)C(=O)NF.
What is the InChIKey of 4-[3-(fluoroamino)-2-methyl-3-oxopropoxy]-N,2-dimethylbutanamide?
The InChIKey is KGAKJJIAWXEGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2O3/c1-7(9(14)12-3)4-5-16-6-8(2)10(15)13-11/h7-8H,4-6H2,1-3H3,(H,12,14)(H,13,15).
What are the key properties of 4-[3-(fluoroamino)-2-methyl-3-oxopropoxy]-N,2-dimethylbutanamide?
4-[3-(fluoroamino)-2-methyl-3-oxopropoxy]-N,2-dimethylbutanamide has a molecular weight of 234.27 g/mol, XLogP of 0.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(fluoroamino)-2-methyl-3-oxopropoxy]-N,2-dimethylbutanamide is sourced from PubChem (CID 59335532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).