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

C25H51FN4O6 — CID 142615926

IUPACN-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]propanamide
SMILESCCC(=O)NCC(F)COCCN1CCN(CCOCCOCCOCCOCCNC(C)C)CC1
InChIInChI=1S/C25H51FN4O6/c1-4-25(31)28-21-24(26)22-36-14-11-30-8-6-29(7-9-30)10-13-33-16-18-35-20-19-34-17-15-32-12-5-27-23(2)3/h23-24,27H,4-22H2,1-3H3,(H,28,31)
InChIKeyPAHVCZOZEAHYCH-UHFFFAOYSA-N
MW522.70 g/mol
LogP0.55
Rot. Bonds24

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]propanamide

N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]propanamide (PubChem CID 142615926) has the molecular formula C25H51FN4O6 and a molecular weight of 522.70 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]propanamide.

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]propanamide
PubChem CID142615926
Molecular FormulaC25H51FN4O6
Molecular Weight522.70 g/mol
Exact Mass522.38
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]propanamide
SMILESCCC(=O)NCC(F)COCCN1CCN(CCOCCOCCOCCOCCNC(C)C)CC1
InChIInChI=1S/C25H51FN4O6/c1-4-25(31)28-21-24(26)22-36-14-11-30-8-6-29(7-9-30)10-13-33-16-18-35-20-19-34-17-15-32-12-5-27-23(2)3/h23-24,27H,4-22H2,1-3H3,(H,28,31)
InChIKeyPAHVCZOZEAHYCH-UHFFFAOYSA-N
XLogP0.55
TPSA93.76 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds24
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.70
LogP ≤ 50.55
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]propanamide?
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]propanamide (CID 142615926) 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]propanamide.
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]propanamide?
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]propanamide is CCC(=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]propanamide?
The InChIKey is PAHVCZOZEAHYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H51FN4O6/c1-4-25(31)28-21-24(26)22-36-14-11-30-8-6-29(7-9-30)10-13-33-16-18-35-20-19-34-17-15-32-12-5-27-23(2)3/h23-24,27H,4-22H2,1-3H3,(H,28,31).
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]propanamide?
N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]propanamide has a molecular weight of 522.70 g/mol, XLogP of 0.55, 24 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]propanamide is sourced from PubChem (CID 142615926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).