N-[3-[2-[4-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]-2-fluoropropyl]-2-methylpropanamide

C25H51FN4O6 — CID 155188884

IUPACN-[3-[2-[4-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]-2-fluoropropyl]-2-methylpropanamide
SMILESCCNCCOCCOCCOCCOCCN1CCN(CCOCC(F)CNC(=O)C(C)C)CC1
InChIInChI=1S/C25H51FN4O6/c1-4-27-5-12-32-15-17-34-19-20-35-18-16-33-13-10-29-6-8-30(9-7-29)11-14-36-22-24(26)21-28-25(31)23(2)3/h23-24,27H,4-22H2,1-3H3,(H,28,31)
InChIKeyCDMGQVSTOJXOQP-UHFFFAOYSA-N
MW522.70 g/mol
LogP0.41
Rot. Bonds24

About N-[3-[2-[4-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]-2-fluoropropyl]-2-methylpropanamide

N-[3-[2-[4-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]-2-fluoropropyl]-2-methylpropanamide (PubChem CID 155188884) has the molecular formula C25H51FN4O6 and a molecular weight of 522.70 g/mol. Its IUPAC name is N-[3-[2-[4-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]-2-fluoropropyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[2-[4-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]-2-fluoropropyl]-2-methylpropanamide
PubChem CID155188884
Molecular FormulaC25H51FN4O6
Molecular Weight522.70 g/mol
Exact Mass522.38
IUPAC NameN-[3-[2-[4-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]-2-fluoropropyl]-2-methylpropanamide
SMILESCCNCCOCCOCCOCCOCCN1CCN(CCOCC(F)CNC(=O)C(C)C)CC1
InChIInChI=1S/C25H51FN4O6/c1-4-27-5-12-32-15-17-34-19-20-35-18-16-33-13-10-29-6-8-30(9-7-29)11-14-36-22-24(26)21-28-25(31)23(2)3/h23-24,27H,4-22H2,1-3H3,(H,28,31)
InChIKeyCDMGQVSTOJXOQP-UHFFFAOYSA-N
XLogP0.41
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 ≤ 50.41
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-[3-[2-[4-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]-2-fluoropropyl]-2-methylpropanamide?
The IUPAC name of N-[3-[2-[4-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]-2-fluoropropyl]-2-methylpropanamide (CID 155188884) is N-[3-[2-[4-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]-2-fluoropropyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[2-[4-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]-2-fluoropropyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[2-[4-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]-2-fluoropropyl]-2-methylpropanamide is CCNCCOCCOCCOCCOCCN1CCN(CCOCC(F)CNC(=O)C(C)C)CC1.
What is the InChIKey of N-[3-[2-[4-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]-2-fluoropropyl]-2-methylpropanamide?
The InChIKey is CDMGQVSTOJXOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H51FN4O6/c1-4-27-5-12-32-15-17-34-19-20-35-18-16-33-13-10-29-6-8-30(9-7-29)11-14-36-22-24(26)21-28-25(31)23(2)3/h23-24,27H,4-22H2,1-3H3,(H,28,31).
What are the key properties of N-[3-[2-[4-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]-2-fluoropropyl]-2-methylpropanamide?
N-[3-[2-[4-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]-2-fluoropropyl]-2-methylpropanamide has a molecular weight of 522.70 g/mol, XLogP of 0.41, 24 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[4-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]-2-fluoropropyl]-2-methylpropanamide is sourced from PubChem (CID 155188884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).