N-[2-[2-(2-fluoro-3-formamidopropoxy)ethoxy]ethyl]-2-propan-2-yloxyacetamide

C13H25FN2O5 — CID 153390512

IUPACN-[2-[2-(2-fluoro-3-formamidopropoxy)ethoxy]ethyl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)NCCOCCOCC(F)CNC=O
InChIInChI=1S/C13H25FN2O5/c1-11(2)21-9-13(18)16-3-4-19-5-6-20-8-12(14)7-15-10-17/h10-12H,3-9H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyBOOGZSPSARQTCB-UHFFFAOYSA-N
MW308.35 g/mol
LogP-0.36
Rot. Bonds14

About N-[2-[2-(2-fluoro-3-formamidopropoxy)ethoxy]ethyl]-2-propan-2-yloxyacetamide

N-[2-[2-(2-fluoro-3-formamidopropoxy)ethoxy]ethyl]-2-propan-2-yloxyacetamide (PubChem CID 153390512) has the molecular formula C13H25FN2O5 and a molecular weight of 308.35 g/mol. Its IUPAC name is N-[2-[2-(2-fluoro-3-formamidopropoxy)ethoxy]ethyl]-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-[2-[2-(2-fluoro-3-formamidopropoxy)ethoxy]ethyl]-2-propan-2-yloxyacetamide
PubChem CID153390512
Molecular FormulaC13H25FN2O5
Molecular Weight308.35 g/mol
Exact Mass308.17
IUPAC NameN-[2-[2-(2-fluoro-3-formamidopropoxy)ethoxy]ethyl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)NCCOCCOCC(F)CNC=O
InChIInChI=1S/C13H25FN2O5/c1-11(2)21-9-13(18)16-3-4-19-5-6-20-8-12(14)7-15-10-17/h10-12H,3-9H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyBOOGZSPSARQTCB-UHFFFAOYSA-N
XLogP-0.36
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-fluoro-3-formamidopropoxy)ethoxy]ethyl]-2-propan-2-yloxyacetamide?
The IUPAC name of N-[2-[2-(2-fluoro-3-formamidopropoxy)ethoxy]ethyl]-2-propan-2-yloxyacetamide (CID 153390512) is N-[2-[2-(2-fluoro-3-formamidopropoxy)ethoxy]ethyl]-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-[2-[2-(2-fluoro-3-formamidopropoxy)ethoxy]ethyl]-2-propan-2-yloxyacetamide?
The canonical SMILES for N-[2-[2-(2-fluoro-3-formamidopropoxy)ethoxy]ethyl]-2-propan-2-yloxyacetamide is CC(C)OCC(=O)NCCOCCOCC(F)CNC=O.
What is the InChIKey of N-[2-[2-(2-fluoro-3-formamidopropoxy)ethoxy]ethyl]-2-propan-2-yloxyacetamide?
The InChIKey is BOOGZSPSARQTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FN2O5/c1-11(2)21-9-13(18)16-3-4-19-5-6-20-8-12(14)7-15-10-17/h10-12H,3-9H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-[2-[2-(2-fluoro-3-formamidopropoxy)ethoxy]ethyl]-2-propan-2-yloxyacetamide?
N-[2-[2-(2-fluoro-3-formamidopropoxy)ethoxy]ethyl]-2-propan-2-yloxyacetamide has a molecular weight of 308.35 g/mol, XLogP of -0.36, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-fluoro-3-formamidopropoxy)ethoxy]ethyl]-2-propan-2-yloxyacetamide is sourced from PubChem (CID 153390512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).