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

C15H24N2O7 — CID 70930935

IUPACN-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetamide
SMILESCOCCOCCOCCOCC(=O)NCCN1C(=O)C=CC1=O
InChIInChI=1S/C15H24N2O7/c1-21-6-7-22-8-9-23-10-11-24-12-13(18)16-4-5-17-14(19)2-3-15(17)20/h2-3H,4-12H2,1H3,(H,16,18)
InChIKeyKSPGBHHAZASGJF-UHFFFAOYSA-N
MW344.36 g/mol
LogP-1.28
Rot. Bonds14

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

N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetamide (PubChem CID 70930935) has the molecular formula C15H24N2O7 and a molecular weight of 344.36 g/mol. Its IUPAC name is N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetamide.

Molecular Properties

Compound NameN-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetamide
PubChem CID70930935
Molecular FormulaC15H24N2O7
Molecular Weight344.36 g/mol
Exact Mass344.16
IUPAC NameN-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetamide
SMILESCOCCOCCOCCOCC(=O)NCCN1C(=O)C=CC1=O
InChIInChI=1S/C15H24N2O7/c1-21-6-7-22-8-9-23-10-11-24-12-13(18)16-4-5-17-14(19)2-3-15(17)20/h2-3H,4-12H2,1H3,(H,16,18)
InChIKeyKSPGBHHAZASGJF-UHFFFAOYSA-N
XLogP-1.28
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 5-1.28
H-Bond Donors ≤ 51
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 N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetamide?
The IUPAC name of N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetamide (CID 70930935) is N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetamide.
What is the SMILES notation for N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetamide?
The canonical SMILES for N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetamide is COCCOCCOCCOCC(=O)NCCN1C(=O)C=CC1=O.
What is the InChIKey of N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetamide?
The InChIKey is KSPGBHHAZASGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O7/c1-21-6-7-22-8-9-23-10-11-24-12-13(18)16-4-5-17-14(19)2-3-15(17)20/h2-3H,4-12H2,1H3,(H,16,18).
What are the key properties of N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetamide?
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetamide has a molecular weight of 344.36 g/mol, XLogP of -1.28, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetamide is sourced from PubChem (CID 70930935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).