N-[2-fluoro-3-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]propyl]propanamide

C15H29FN2O6 — CID 167520055

IUPACN-[2-fluoro-3-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]propyl]propanamide
SMILESCCC(=O)NCC(F)COCCOCCOCCNC(=O)COC
InChIInChI=1S/C15H29FN2O6/c1-3-14(19)18-10-13(16)11-24-9-8-23-7-6-22-5-4-17-15(20)12-21-2/h13H,3-12H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyWHOKOIFTOJBYNX-UHFFFAOYSA-N
MW352.40 g/mol
LogP-0.34
Rot. Bonds16

About N-[2-fluoro-3-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]propyl]propanamide

N-[2-fluoro-3-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]propyl]propanamide (PubChem CID 167520055) has the molecular formula C15H29FN2O6 and a molecular weight of 352.40 g/mol. Its IUPAC name is N-[2-fluoro-3-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]propyl]propanamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]propyl]propanamide
PubChem CID167520055
Molecular FormulaC15H29FN2O6
Molecular Weight352.40 g/mol
Exact Mass352.20
IUPAC NameN-[2-fluoro-3-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]propyl]propanamide
SMILESCCC(=O)NCC(F)COCCOCCOCCNC(=O)COC
InChIInChI=1S/C15H29FN2O6/c1-3-14(19)18-10-13(16)11-24-9-8-23-7-6-22-5-4-17-15(20)12-21-2/h13H,3-12H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyWHOKOIFTOJBYNX-UHFFFAOYSA-N
XLogP-0.34
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-fluoro-3-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]propyl]-2-methylbutanamide
CID 156861015
N-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethyl]propanamide
CID 118258329
N-[2-(2,2-difluoroethoxy)ethyl]-2-methoxyacetamide
CID 103082376
N-[2-[2-[2-fluoro-3-(2-methylpropanoylamino)propoxy]ethoxy]ethyl]-2-methylpropanamide
CID 170442191
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methoxyacetamide
CID 155715449
N-[2-fluoro-3-[2-[2-[2-[2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide;yttrium
CID 155739438
ethane;N-[2-[(2-methoxyacetyl)amino]ethyl]propanamide
CID 156794805
N-[2-fluoro-3-[2-[2-[1-(methylsulfanylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]propanamide
CID 170250557
N-[5-[2-[5-(3-acetamido-2-fluoropropoxy)pentoxy]ethoxy]pentyl]-2-ethoxyacetamide
CID 167191221
N-[2-(2-methylpropoxy)ethyl]propanamide
CID 115588549
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methoxyacetamide;ethane;methane
CID 178085327
N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]propanamide
CID 122664379

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]propyl]propanamide?
The IUPAC name of N-[2-fluoro-3-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]propyl]propanamide (CID 167520055) is N-[2-fluoro-3-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]propyl]propanamide.
What is the SMILES notation for N-[2-fluoro-3-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]propyl]propanamide?
The canonical SMILES for N-[2-fluoro-3-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]propyl]propanamide is CCC(=O)NCC(F)COCCOCCOCCNC(=O)COC.
What is the InChIKey of N-[2-fluoro-3-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]propyl]propanamide?
The InChIKey is WHOKOIFTOJBYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29FN2O6/c1-3-14(19)18-10-13(16)11-24-9-8-23-7-6-22-5-4-17-15(20)12-21-2/h13H,3-12H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-[2-fluoro-3-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]propyl]propanamide?
N-[2-fluoro-3-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]propyl]propanamide has a molecular weight of 352.40 g/mol, XLogP of -0.34, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]propyl]propanamide is sourced from PubChem (CID 167520055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).