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

C14H23N3O6 — CID 158047533

IUPAC2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide
SMILESNCCOCCOCCOCC(=O)NCCN1C(=O)C=CC1=O
InChIInChI=1S/C14H23N3O6/c15-3-6-21-7-8-22-9-10-23-11-12(18)16-4-5-17-13(19)1-2-14(17)20/h1-2H,3-11,15H2,(H,16,18)
InChIKeyJCJBFZPJEUCPIQ-UHFFFAOYSA-N
MW329.35 g/mol
LogP-1.96
Rot. Bonds13

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

2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide (PubChem CID 158047533) has the molecular formula C14H23N3O6 and a molecular weight of 329.35 g/mol. Its IUPAC name is 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide
PubChem CID158047533
Molecular FormulaC14H23N3O6
Molecular Weight329.35 g/mol
Exact Mass329.16
IUPAC Name2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide
SMILESNCCOCCOCCOCC(=O)NCCN1C(=O)C=CC1=O
InChIInChI=1S/C14H23N3O6/c15-3-6-21-7-8-22-9-10-23-11-12(18)16-4-5-17-13(19)1-2-14(17)20/h1-2H,3-11,15H2,(H,16,18)
InChIKeyJCJBFZPJEUCPIQ-UHFFFAOYSA-N
XLogP-1.96
TPSA120.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 5-1.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide?
The IUPAC name of 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide (CID 158047533) is 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide is NCCOCCOCCOCC(=O)NCCN1C(=O)C=CC1=O.
What is the InChIKey of 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide?
The InChIKey is JCJBFZPJEUCPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O6/c15-3-6-21-7-8-22-9-10-23-11-12(18)16-4-5-17-13(19)1-2-14(17)20/h1-2H,3-11,15H2,(H,16,18).
What are the key properties of 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide?
2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide has a molecular weight of 329.35 g/mol, XLogP of -1.96, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide is sourced from PubChem (CID 158047533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).