N-[2-fluoro-3-[5-[2-[5-[(2-methoxyacetyl)amino]pentoxy]ethoxy]pentoxy]propyl]propanamide

C21H41FN2O6 — CID 155411003

IUPACN-[2-fluoro-3-[5-[2-[5-[(2-methoxyacetyl)amino]pentoxy]ethoxy]pentoxy]propyl]propanamide
SMILESCCC(=O)NCC(F)COCCCCCOCCOCCCCCNC(=O)COC
InChIInChI=1S/C21H41FN2O6/c1-3-20(25)24-16-19(22)17-30-13-9-5-8-12-29-15-14-28-11-7-4-6-10-23-21(26)18-27-2/h19H,3-18H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyXOPHUQWFRWOPEI-UHFFFAOYSA-N
MW436.57 g/mol
LogP2.00
Rot. Bonds22

About N-[2-fluoro-3-[5-[2-[5-[(2-methoxyacetyl)amino]pentoxy]ethoxy]pentoxy]propyl]propanamide

N-[2-fluoro-3-[5-[2-[5-[(2-methoxyacetyl)amino]pentoxy]ethoxy]pentoxy]propyl]propanamide (PubChem CID 155411003) has the molecular formula C21H41FN2O6 and a molecular weight of 436.57 g/mol. Its IUPAC name is N-[2-fluoro-3-[5-[2-[5-[(2-methoxyacetyl)amino]pentoxy]ethoxy]pentoxy]propyl]propanamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[5-[2-[5-[(2-methoxyacetyl)amino]pentoxy]ethoxy]pentoxy]propyl]propanamide
PubChem CID155411003
Molecular FormulaC21H41FN2O6
Molecular Weight436.57 g/mol
Exact Mass436.29
IUPAC NameN-[2-fluoro-3-[5-[2-[5-[(2-methoxyacetyl)amino]pentoxy]ethoxy]pentoxy]propyl]propanamide
SMILESCCC(=O)NCC(F)COCCCCCOCCOCCCCCNC(=O)COC
InChIInChI=1S/C21H41FN2O6/c1-3-20(25)24-16-19(22)17-30-13-9-5-8-12-29-15-14-28-11-7-4-6-10-23-21(26)18-27-2/h19H,3-18H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyXOPHUQWFRWOPEI-UHFFFAOYSA-N
XLogP2.00
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.57
LogP ≤ 52.00
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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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-[5-[2-[5-[(2-methoxyacetyl)amino]pentoxy]ethoxy]pentoxy]propyl]propanamide?
The IUPAC name of N-[2-fluoro-3-[5-[2-[5-[(2-methoxyacetyl)amino]pentoxy]ethoxy]pentoxy]propyl]propanamide (CID 155411003) is N-[2-fluoro-3-[5-[2-[5-[(2-methoxyacetyl)amino]pentoxy]ethoxy]pentoxy]propyl]propanamide.
What is the SMILES notation for N-[2-fluoro-3-[5-[2-[5-[(2-methoxyacetyl)amino]pentoxy]ethoxy]pentoxy]propyl]propanamide?
The canonical SMILES for N-[2-fluoro-3-[5-[2-[5-[(2-methoxyacetyl)amino]pentoxy]ethoxy]pentoxy]propyl]propanamide is CCC(=O)NCC(F)COCCCCCOCCOCCCCCNC(=O)COC.
What is the InChIKey of N-[2-fluoro-3-[5-[2-[5-[(2-methoxyacetyl)amino]pentoxy]ethoxy]pentoxy]propyl]propanamide?
The InChIKey is XOPHUQWFRWOPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41FN2O6/c1-3-20(25)24-16-19(22)17-30-13-9-5-8-12-29-15-14-28-11-7-4-6-10-23-21(26)18-27-2/h19H,3-18H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-[2-fluoro-3-[5-[2-[5-[(2-methoxyacetyl)amino]pentoxy]ethoxy]pentoxy]propyl]propanamide?
N-[2-fluoro-3-[5-[2-[5-[(2-methoxyacetyl)amino]pentoxy]ethoxy]pentoxy]propyl]propanamide has a molecular weight of 436.57 g/mol, XLogP of 2.00, 22 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-[5-[2-[5-[(2-methoxyacetyl)amino]pentoxy]ethoxy]pentoxy]propyl]propanamide is sourced from PubChem (CID 155411003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).