N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]-2-methylpropanamide

C24H49FN4O6 — CID 138728485

IUPACN-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]-2-methylpropanamide
SMILESCNCCOCCOCCOCCOCCN1CCN(CCOCC(F)CNC(=O)C(C)C)CC1
InChIInChI=1S/C24H49FN4O6/c1-22(2)24(30)27-20-23(25)21-35-13-10-29-7-5-28(6-8-29)9-12-32-15-17-34-19-18-33-16-14-31-11-4-26-3/h22-23,26H,4-21H2,1-3H3,(H,27,30)
InChIKeyLPKKMMJFLGBWRE-UHFFFAOYSA-N
MW508.68 g/mol
LogP0.02
Rot. Bonds23

About N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]-2-methylpropanamide

N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]-2-methylpropanamide (PubChem CID 138728485) has the molecular formula C24H49FN4O6 and a molecular weight of 508.68 g/mol. Its IUPAC name is N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]-2-methylpropanamide
PubChem CID138728485
Molecular FormulaC24H49FN4O6
Molecular Weight508.68 g/mol
Exact Mass508.36
IUPAC NameN-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]-2-methylpropanamide
SMILESCNCCOCCOCCOCCOCCN1CCN(CCOCC(F)CNC(=O)C(C)C)CC1
InChIInChI=1S/C24H49FN4O6/c1-22(2)24(30)27-20-23(25)21-35-13-10-29-7-5-28(6-8-29)9-12-32-15-17-34-19-18-33-16-14-31-11-4-26-3/h22-23,26H,4-21H2,1-3H3,(H,27,30)
InChIKeyLPKKMMJFLGBWRE-UHFFFAOYSA-N
XLogP0.02
TPSA93.76 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds23
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.68
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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-[2-[4-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]-2-methylpropanamide?
The IUPAC name of N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]-2-methylpropanamide (CID 138728485) is N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]-2-methylpropanamide?
The canonical SMILES for N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]-2-methylpropanamide is CNCCOCCOCCOCCOCCN1CCN(CCOCC(F)CNC(=O)C(C)C)CC1.
What is the InChIKey of N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]-2-methylpropanamide?
The InChIKey is LPKKMMJFLGBWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49FN4O6/c1-22(2)24(30)27-20-23(25)21-35-13-10-29-7-5-28(6-8-29)9-12-32-15-17-34-19-18-33-16-14-31-11-4-26-3/h22-23,26H,4-21H2,1-3H3,(H,27,30).
What are the key properties of N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]-2-methylpropanamide?
N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]-2-methylpropanamide has a molecular weight of 508.68 g/mol, XLogP of 0.02, 23 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]-2-methylpropanamide is sourced from PubChem (CID 138728485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).