[1-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-2,5-dioxopyrrol-3-yl] 2,2,2-trifluoroacetate

C18H26F3N3O9 — CID 146580263

IUPAC[1-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-2,5-dioxopyrrol-3-yl] 2,2,2-trifluoroacetate
SMILESNCCOCCOCCOCCOCCNC(=O)CN1C(=O)C=C(OC(=O)C(F)(F)F)C1=O
InChIInChI=1S/C18H26F3N3O9/c19-18(20,21)17(28)33-13-11-15(26)24(16(13)27)12-14(25)23-2-4-30-6-8-32-10-9-31-7-5-29-3-1-22/h11H,1-10,12,22H2,(H,23,25)
InChIKeyJYDLXZZMNKGLHK-UHFFFAOYSA-N
MW485.41 g/mol
LogP-1.51
Rot. Bonds17

About [1-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-2,5-dioxopyrrol-3-yl] 2,2,2-trifluoroacetate

[1-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-2,5-dioxopyrrol-3-yl] 2,2,2-trifluoroacetate (PubChem CID 146580263) has the molecular formula C18H26F3N3O9 and a molecular weight of 485.41 g/mol. Its IUPAC name is [1-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-2,5-dioxopyrrol-3-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[1-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-2,5-dioxopyrrol-3-yl] 2,2,2-trifluoroacetate
PubChem CID146580263
Molecular FormulaC18H26F3N3O9
Molecular Weight485.41 g/mol
Exact Mass485.16
IUPAC Name[1-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-2,5-dioxopyrrol-3-yl] 2,2,2-trifluoroacetate
SMILESNCCOCCOCCOCCOCCNC(=O)CN1C(=O)C=C(OC(=O)C(F)(F)F)C1=O
InChIInChI=1S/C18H26F3N3O9/c19-18(20,21)17(28)33-13-11-15(26)24(16(13)27)12-14(25)23-2-4-30-6-8-32-10-9-31-7-5-29-3-1-22/h11H,1-10,12,22H2,(H,23,25)
InChIKeyJYDLXZZMNKGLHK-UHFFFAOYSA-N
XLogP-1.51
TPSA155.72 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.41
LogP ≤ 5-1.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-2,5-dioxopyrrol-3-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [1-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-2,5-dioxopyrrol-3-yl] 2,2,2-trifluoroacetate (CID 146580263) is [1-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-2,5-dioxopyrrol-3-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [1-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-2,5-dioxopyrrol-3-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [1-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-2,5-dioxopyrrol-3-yl] 2,2,2-trifluoroacetate is NCCOCCOCCOCCOCCNC(=O)CN1C(=O)C=C(OC(=O)C(F)(F)F)C1=O.
What is the InChIKey of [1-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-2,5-dioxopyrrol-3-yl] 2,2,2-trifluoroacetate?
The InChIKey is JYDLXZZMNKGLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3N3O9/c19-18(20,21)17(28)33-13-11-15(26)24(16(13)27)12-14(25)23-2-4-30-6-8-32-10-9-31-7-5-29-3-1-22/h11H,1-10,12,22H2,(H,23,25).
What are the key properties of [1-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-2,5-dioxopyrrol-3-yl] 2,2,2-trifluoroacetate?
[1-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-2,5-dioxopyrrol-3-yl] 2,2,2-trifluoroacetate has a molecular weight of 485.41 g/mol, XLogP of -1.51, 17 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-2,5-dioxopyrrol-3-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 146580263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).