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

C26H53FN4O6 — CID 170007437

IUPACN-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]-2-methylpentanamide
SMILESCCCC(C)C(=O)NCC(F)COCCN1CCN(CCOCCOCCOCCOCCNC)CC1
InChIInChI=1S/C26H53FN4O6/c1-4-5-24(2)26(32)29-22-25(27)23-37-15-12-31-9-7-30(8-10-31)11-14-34-17-19-36-21-20-35-18-16-33-13-6-28-3/h24-25,28H,4-23H2,1-3H3,(H,29,32)
InChIKeyMEGJRZCYFSMRLQ-UHFFFAOYSA-N
MW536.73 g/mol
LogP0.80
Rot. Bonds25

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

N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]-2-methylpentanamide (PubChem CID 170007437) has the molecular formula C26H53FN4O6 and a molecular weight of 536.73 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-methylpentanamide.

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-methylpentanamide
PubChem CID170007437
Molecular FormulaC26H53FN4O6
Molecular Weight536.73 g/mol
Exact Mass536.39
IUPAC NameN-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]-2-methylpentanamide
SMILESCCCC(C)C(=O)NCC(F)COCCN1CCN(CCOCCOCCOCCOCCNC)CC1
InChIInChI=1S/C26H53FN4O6/c1-4-5-24(2)26(32)29-22-25(27)23-37-15-12-31-9-7-30(8-10-31)11-14-34-17-19-36-21-20-35-18-16-33-13-6-28-3/h24-25,28H,4-23H2,1-3H3,(H,29,32)
InChIKeyMEGJRZCYFSMRLQ-UHFFFAOYSA-N
XLogP0.80
TPSA93.76 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds25
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.73
LogP ≤ 50.80
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-methylpentanamide?
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-methylpentanamide (CID 170007437) is N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]-2-methylpentanamide.
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-methylpentanamide?
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-methylpentanamide is CCCC(C)C(=O)NCC(F)COCCN1CCN(CCOCCOCCOCCOCCNC)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-methylpentanamide?
The InChIKey is MEGJRZCYFSMRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H53FN4O6/c1-4-5-24(2)26(32)29-22-25(27)23-37-15-12-31-9-7-30(8-10-31)11-14-34-17-19-36-21-20-35-18-16-33-13-6-28-3/h24-25,28H,4-23H2,1-3H3,(H,29,32).
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-methylpentanamide?
N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]-2-methylpentanamide has a molecular weight of 536.73 g/mol, XLogP of 0.80, 25 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-methylpentanamide is sourced from PubChem (CID 170007437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).