N-[2-[2-[[fluoro-[2-[2-[[fluoro(hexyl)amino]methoxy]ethoxy]ethyl]amino]methoxy]ethoxy]ethyl]pentanamide

C21H43F2N3O5 — CID 129026869

IUPACN-[2-[2-[[fluoro-[2-[2-[[fluoro(hexyl)amino]methoxy]ethoxy]ethyl]amino]methoxy]ethoxy]ethyl]pentanamide
SMILESCCCCCCN(F)COCCOCCN(F)COCCOCCNC(=O)CCCC
InChIInChI=1S/C21H43F2N3O5/c1-3-5-7-8-11-25(22)19-30-18-16-29-14-12-26(23)20-31-17-15-28-13-10-24-21(27)9-6-4-2/h3-20H2,1-2H3,(H,24,27)
InChIKeyOXVIFOYJFANRPK-UHFFFAOYSA-N
MW455.59 g/mol
LogP3.23
Rot. Bonds24

About N-[2-[2-[[fluoro-[2-[2-[[fluoro(hexyl)amino]methoxy]ethoxy]ethyl]amino]methoxy]ethoxy]ethyl]pentanamide

N-[2-[2-[[fluoro-[2-[2-[[fluoro(hexyl)amino]methoxy]ethoxy]ethyl]amino]methoxy]ethoxy]ethyl]pentanamide (PubChem CID 129026869) has the molecular formula C21H43F2N3O5 and a molecular weight of 455.59 g/mol. Its IUPAC name is N-[2-[2-[[fluoro-[2-[2-[[fluoro(hexyl)amino]methoxy]ethoxy]ethyl]amino]methoxy]ethoxy]ethyl]pentanamide.

Molecular Properties

Compound NameN-[2-[2-[[fluoro-[2-[2-[[fluoro(hexyl)amino]methoxy]ethoxy]ethyl]amino]methoxy]ethoxy]ethyl]pentanamide
PubChem CID129026869
Molecular FormulaC21H43F2N3O5
Molecular Weight455.59 g/mol
Exact Mass455.32
IUPAC NameN-[2-[2-[[fluoro-[2-[2-[[fluoro(hexyl)amino]methoxy]ethoxy]ethyl]amino]methoxy]ethoxy]ethyl]pentanamide
SMILESCCCCCCN(F)COCCOCCN(F)COCCOCCNC(=O)CCCC
InChIInChI=1S/C21H43F2N3O5/c1-3-5-7-8-11-25(22)19-30-18-16-29-14-12-26(23)20-31-17-15-28-13-10-24-21(27)9-6-4-2/h3-20H2,1-2H3,(H,24,27)
InChIKeyOXVIFOYJFANRPK-UHFFFAOYSA-N
XLogP3.23
TPSA72.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds24
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.59
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[[fluoro-[2-[2-[[fluoro(hexyl)amino]methoxy]ethoxy]ethyl]amino]methoxy]ethoxy]ethyl]pentanamide?
The IUPAC name of N-[2-[2-[[fluoro-[2-[2-[[fluoro(hexyl)amino]methoxy]ethoxy]ethyl]amino]methoxy]ethoxy]ethyl]pentanamide (CID 129026869) is N-[2-[2-[[fluoro-[2-[2-[[fluoro(hexyl)amino]methoxy]ethoxy]ethyl]amino]methoxy]ethoxy]ethyl]pentanamide.
What is the SMILES notation for N-[2-[2-[[fluoro-[2-[2-[[fluoro(hexyl)amino]methoxy]ethoxy]ethyl]amino]methoxy]ethoxy]ethyl]pentanamide?
The canonical SMILES for N-[2-[2-[[fluoro-[2-[2-[[fluoro(hexyl)amino]methoxy]ethoxy]ethyl]amino]methoxy]ethoxy]ethyl]pentanamide is CCCCCCN(F)COCCOCCN(F)COCCOCCNC(=O)CCCC.
What is the InChIKey of N-[2-[2-[[fluoro-[2-[2-[[fluoro(hexyl)amino]methoxy]ethoxy]ethyl]amino]methoxy]ethoxy]ethyl]pentanamide?
The InChIKey is OXVIFOYJFANRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43F2N3O5/c1-3-5-7-8-11-25(22)19-30-18-16-29-14-12-26(23)20-31-17-15-28-13-10-24-21(27)9-6-4-2/h3-20H2,1-2H3,(H,24,27).
What are the key properties of N-[2-[2-[[fluoro-[2-[2-[[fluoro(hexyl)amino]methoxy]ethoxy]ethyl]amino]methoxy]ethoxy]ethyl]pentanamide?
N-[2-[2-[[fluoro-[2-[2-[[fluoro(hexyl)amino]methoxy]ethoxy]ethyl]amino]methoxy]ethoxy]ethyl]pentanamide has a molecular weight of 455.59 g/mol, XLogP of 3.23, 24 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[[fluoro-[2-[2-[[fluoro(hexyl)amino]methoxy]ethoxy]ethyl]amino]methoxy]ethoxy]ethyl]pentanamide is sourced from PubChem (CID 129026869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).