N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]acetamide

C24H49FN4O6 — CID 142616305

IUPACN-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]acetamide
SMILESCC(=O)NCC(F)COCCN1CCN(CCOCCOCCOCCOCCNC(C)C)CC1
InChIInChI=1S/C24H49FN4O6/c1-22(2)26-4-11-31-14-16-33-18-19-34-17-15-32-12-9-28-5-7-29(8-6-28)10-13-35-21-24(25)20-27-23(3)30/h22,24,26H,4-21H2,1-3H3,(H,27,30)
InChIKeyHHXNBIUIPGHWGL-UHFFFAOYSA-N
MW508.68 g/mol
LogP0.16
Rot. Bonds23

About N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]acetamide

N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]acetamide (PubChem CID 142616305) 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-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]acetamide
PubChem CID142616305
Molecular FormulaC24H49FN4O6
Molecular Weight508.68 g/mol
Exact Mass508.36
IUPAC NameN-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]acetamide
SMILESCC(=O)NCC(F)COCCN1CCN(CCOCCOCCOCCOCCNC(C)C)CC1
InChIInChI=1S/C24H49FN4O6/c1-22(2)26-4-11-31-14-16-33-18-19-34-17-15-32-12-9-28-5-7-29(8-6-28)10-13-35-21-24(25)20-27-23(3)30/h22,24,26H,4-21H2,1-3H3,(H,27,30)
InChIKeyHHXNBIUIPGHWGL-UHFFFAOYSA-N
XLogP0.16
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 ≤ 50.16
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-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]acetamide?
The IUPAC name of N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]acetamide (CID 142616305) is N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]acetamide.
What is the SMILES notation for N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]acetamide?
The canonical SMILES for N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]acetamide is CC(=O)NCC(F)COCCN1CCN(CCOCCOCCOCCOCCNC(C)C)CC1.
What is the InChIKey of N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]acetamide?
The InChIKey is HHXNBIUIPGHWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49FN4O6/c1-22(2)26-4-11-31-14-16-33-18-19-34-17-15-32-12-9-28-5-7-29(8-6-28)10-13-35-21-24(25)20-27-23(3)30/h22,24,26H,4-21H2,1-3H3,(H,27,30).
What are the key properties of N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]acetamide?
N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]acetamide has a molecular weight of 508.68 g/mol, XLogP of 0.16, 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-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]acetamide is sourced from PubChem (CID 142616305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).