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

C12H19N3O5 — CID 121412768

IUPACN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide
SMILESNCCOCCOCCNC(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C12H19N3O5/c13-3-5-19-7-8-20-6-4-14-10(16)9-15-11(17)1-2-12(15)18/h1-2H,3-9,13H2,(H,14,16)
InChIKeyFIMQBAMZQYDTPJ-UHFFFAOYSA-N
MW285.30 g/mol
LogP-1.98
Rot. Bonds10

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

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide (PubChem CID 121412768) has the molecular formula C12H19N3O5 and a molecular weight of 285.30 g/mol. Its IUPAC name is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide
PubChem CID121412768
Molecular FormulaC12H19N3O5
Molecular Weight285.30 g/mol
Exact Mass285.13
IUPAC NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide
SMILESNCCOCCOCCNC(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C12H19N3O5/c13-3-5-19-7-8-20-6-4-14-10(16)9-15-11(17)1-2-12(15)18/h1-2H,3-9,13H2,(H,14,16)
InChIKeyFIMQBAMZQYDTPJ-UHFFFAOYSA-N
XLogP-1.98
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 5-1.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-aminoethoxy)ethoxy]ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide?
The IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide (CID 121412768) is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide.
What is the SMILES notation for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide?
The canonical SMILES for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide is NCCOCCOCCNC(=O)CN1C(=O)C=CC1=O.
What is the InChIKey of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide?
The InChIKey is FIMQBAMZQYDTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O5/c13-3-5-19-7-8-20-6-4-14-10(16)9-15-11(17)1-2-12(15)18/h1-2H,3-9,13H2,(H,14,16).
What are the key properties of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide?
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide has a molecular weight of 285.30 g/mol, XLogP of -1.98, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide is sourced from PubChem (CID 121412768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).