N-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide

C20H35N3O9 — CID 154618560

IUPACN-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide
SMILESNCCOCCOCCOCCOCCOCCOCCNC(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C20H35N3O9/c21-3-5-27-7-9-29-11-13-31-15-16-32-14-12-30-10-8-28-6-4-22-18(24)17-23-19(25)1-2-20(23)26/h1-2H,3-17,21H2,(H,22,24)
InChIKeyQXHMTKZQBWSTFG-UHFFFAOYSA-N
MW461.51 g/mol
LogP-1.91
Rot. Bonds22

About N-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide

N-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide (PubChem CID 154618560) has the molecular formula C20H35N3O9 and a molecular weight of 461.51 g/mol. Its IUPAC name is N-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide
PubChem CID154618560
Molecular FormulaC20H35N3O9
Molecular Weight461.51 g/mol
Exact Mass461.24
IUPAC NameN-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide
SMILESNCCOCCOCCOCCOCCOCCOCCNC(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C20H35N3O9/c21-3-5-27-7-9-29-11-13-31-15-16-32-14-12-30-10-8-28-6-4-22-18(24)17-23-19(25)1-2-20(23)26/h1-2H,3-17,21H2,(H,22,24)
InChIKeyQXHMTKZQBWSTFG-UHFFFAOYSA-N
XLogP-1.91
TPSA147.88 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds22
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.51
LogP ≤ 5-1.91
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 N-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide?
The IUPAC name of N-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide (CID 154618560) is N-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide.
What is the SMILES notation for N-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide?
The canonical SMILES for N-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide is NCCOCCOCCOCCOCCOCCOCCNC(=O)CN1C(=O)C=CC1=O.
What is the InChIKey of N-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide?
The InChIKey is QXHMTKZQBWSTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O9/c21-3-5-27-7-9-29-11-13-31-15-16-32-14-12-30-10-8-28-6-4-22-18(24)17-23-19(25)1-2-20(23)26/h1-2H,3-17,21H2,(H,22,24).
What are the key properties of N-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide?
N-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide has a molecular weight of 461.51 g/mol, XLogP of -1.91, 22 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide is sourced from PubChem (CID 154618560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).