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

C23H45FN2O6 — CID 155752264

IUPACN-[2-fluoro-3-[5-[2-[5-[(2-propan-2-yloxyacetyl)amino]pentoxy]ethoxy]pentoxy]propyl]propanamide
SMILESCCC(=O)NCC(F)COCCCCCOCCOCCCCCNC(=O)COC(C)C
InChIInChI=1S/C23H45FN2O6/c1-4-22(27)26-17-21(24)18-31-14-10-6-9-13-30-16-15-29-12-8-5-7-11-25-23(28)19-32-20(2)3/h20-21H,4-19H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyZJLHPRZCQSCYKM-UHFFFAOYSA-N
MW464.62 g/mol
LogP2.78
Rot. Bonds23

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

N-[2-fluoro-3-[5-[2-[5-[(2-propan-2-yloxyacetyl)amino]pentoxy]ethoxy]pentoxy]propyl]propanamide (PubChem CID 155752264) has the molecular formula C23H45FN2O6 and a molecular weight of 464.62 g/mol. Its IUPAC name is N-[2-fluoro-3-[5-[2-[5-[(2-propan-2-yloxyacetyl)amino]pentoxy]ethoxy]pentoxy]propyl]propanamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[5-[2-[5-[(2-propan-2-yloxyacetyl)amino]pentoxy]ethoxy]pentoxy]propyl]propanamide
PubChem CID155752264
Molecular FormulaC23H45FN2O6
Molecular Weight464.62 g/mol
Exact Mass464.33
IUPAC NameN-[2-fluoro-3-[5-[2-[5-[(2-propan-2-yloxyacetyl)amino]pentoxy]ethoxy]pentoxy]propyl]propanamide
SMILESCCC(=O)NCC(F)COCCCCCOCCOCCCCCNC(=O)COC(C)C
InChIInChI=1S/C23H45FN2O6/c1-4-22(27)26-17-21(24)18-31-14-10-6-9-13-30-16-15-29-12-8-5-7-11-25-23(28)19-32-20(2)3/h20-21H,4-19H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyZJLHPRZCQSCYKM-UHFFFAOYSA-N
XLogP2.78
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds23
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.62
LogP ≤ 52.78
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-propan-2-yloxyacetyl)amino]pentoxy]ethoxy]pentoxy]propyl]propanamide?
The IUPAC name of N-[2-fluoro-3-[5-[2-[5-[(2-propan-2-yloxyacetyl)amino]pentoxy]ethoxy]pentoxy]propyl]propanamide (CID 155752264) is N-[2-fluoro-3-[5-[2-[5-[(2-propan-2-yloxyacetyl)amino]pentoxy]ethoxy]pentoxy]propyl]propanamide.
What is the SMILES notation for N-[2-fluoro-3-[5-[2-[5-[(2-propan-2-yloxyacetyl)amino]pentoxy]ethoxy]pentoxy]propyl]propanamide?
The canonical SMILES for N-[2-fluoro-3-[5-[2-[5-[(2-propan-2-yloxyacetyl)amino]pentoxy]ethoxy]pentoxy]propyl]propanamide is CCC(=O)NCC(F)COCCCCCOCCOCCCCCNC(=O)COC(C)C.
What is the InChIKey of N-[2-fluoro-3-[5-[2-[5-[(2-propan-2-yloxyacetyl)amino]pentoxy]ethoxy]pentoxy]propyl]propanamide?
The InChIKey is ZJLHPRZCQSCYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45FN2O6/c1-4-22(27)26-17-21(24)18-31-14-10-6-9-13-30-16-15-29-12-8-5-7-11-25-23(28)19-32-20(2)3/h20-21H,4-19H2,1-3H3,(H,25,28)(H,26,27).
What are the key properties of N-[2-fluoro-3-[5-[2-[5-[(2-propan-2-yloxyacetyl)amino]pentoxy]ethoxy]pentoxy]propyl]propanamide?
N-[2-fluoro-3-[5-[2-[5-[(2-propan-2-yloxyacetyl)amino]pentoxy]ethoxy]pentoxy]propyl]propanamide has a molecular weight of 464.62 g/mol, XLogP of 2.78, 23 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-propan-2-yloxyacetyl)amino]pentoxy]ethoxy]pentoxy]propyl]propanamide is sourced from PubChem (CID 155752264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).