N-[2-fluoro-3-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]propyl]formamide

C13H24FNO5 — CID 155751945

IUPACN-[2-fluoro-3-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]propyl]formamide
SMILESCC(C)C(=O)COCCOCCOCC(F)CNC=O
InChIInChI=1S/C13H24FNO5/c1-11(2)13(17)9-20-6-4-18-3-5-19-8-12(14)7-15-10-16/h10-12H,3-9H2,1-2H3,(H,15,16)
InChIKeyPRKJEDIVSGLXEC-UHFFFAOYSA-N
MW293.33 g/mol
LogP0.35
Rot. Bonds14

About N-[2-fluoro-3-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]propyl]formamide

N-[2-fluoro-3-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]propyl]formamide (PubChem CID 155751945) has the molecular formula C13H24FNO5 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[2-fluoro-3-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]propyl]formamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]propyl]formamide
PubChem CID155751945
Molecular FormulaC13H24FNO5
Molecular Weight293.33 g/mol
Exact Mass293.16
IUPAC NameN-[2-fluoro-3-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]propyl]formamide
SMILESCC(C)C(=O)COCCOCCOCC(F)CNC=O
InChIInChI=1S/C13H24FNO5/c1-11(2)13(17)9-20-6-4-18-3-5-19-8-12(14)7-15-10-16/h10-12H,3-9H2,1-2H3,(H,15,16)
InChIKeyPRKJEDIVSGLXEC-UHFFFAOYSA-N
XLogP0.35
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-fluoro-3-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]propyl]carbamoyl fluoride
CID 155455184
N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]formamide
CID 145058844
N-[2-fluoro-3-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2,2-dimethylpropanamide
CID 166800549
ethane;N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propyl]formamide
CID 155739614
N-[2-fluoro-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propyl]formamide
CID 155582507
N-[5-[2-[5-(2-fluoro-3-formamidopropoxy)pentoxy]ethoxy]pentyl]-2-propan-2-yloxyacetamide
CID 157048797
N-[2-fluoro-3-[2-[2-(2-hydrazinylethoxy)ethoxy]ethoxy]propyl]formamide
CID 164906947
N-[8-(3-methyl-2-oxobutoxy)octyl]formamide;2-methylpropane
CID 155752051
N-[5-[2-[5-(2-fluoro-3-formamidopropoxy)pentoxy]ethoxy]pentyl]-2-propan-2-yloxyacetamide;propane
CID 157048796
N-[2-[2-[2-fluoro-3-(2-methylpropanoylamino)propoxy]ethoxy]ethyl]-2-methylpropanamide
CID 170442191
N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propoxy]propyl]formamide
CID 153390417
ethane;N-[2-fluoro-3-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide
CID 153390518

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]propyl]formamide?
The IUPAC name of N-[2-fluoro-3-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]propyl]formamide (CID 155751945) is N-[2-fluoro-3-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]propyl]formamide.
What is the SMILES notation for N-[2-fluoro-3-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]propyl]formamide?
The canonical SMILES for N-[2-fluoro-3-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]propyl]formamide is CC(C)C(=O)COCCOCCOCC(F)CNC=O.
What is the InChIKey of N-[2-fluoro-3-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]propyl]formamide?
The InChIKey is PRKJEDIVSGLXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FNO5/c1-11(2)13(17)9-20-6-4-18-3-5-19-8-12(14)7-15-10-16/h10-12H,3-9H2,1-2H3,(H,15,16).
What are the key properties of N-[2-fluoro-3-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]propyl]formamide?
N-[2-fluoro-3-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]propyl]formamide has a molecular weight of 293.33 g/mol, XLogP of 0.35, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]propyl]formamide is sourced from PubChem (CID 155751945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).