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

C17H28N2O8 — CID 154586738

IUPACN-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methoxyacetamide
SMILESCOCC(=O)NCCOCCOCCOCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C17H28N2O8/c1-23-14-15(20)18-4-6-24-8-10-26-12-13-27-11-9-25-7-5-19-16(21)2-3-17(19)22/h2-3H,4-14H2,1H3,(H,18,20)
InChIKeyQUWAYMVWBFKNSM-UHFFFAOYSA-N
MW388.42 g/mol
LogP-1.26
Rot. Bonds17

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

N-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methoxyacetamide (PubChem CID 154586738) has the molecular formula C17H28N2O8 and a molecular weight of 388.42 g/mol. Its IUPAC name is N-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methoxyacetamide
PubChem CID154586738
Molecular FormulaC17H28N2O8
Molecular Weight388.42 g/mol
Exact Mass388.18
IUPAC NameN-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methoxyacetamide
SMILESCOCC(=O)NCCOCCOCCOCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C17H28N2O8/c1-23-14-15(20)18-4-6-24-8-10-26-12-13-27-11-9-25-7-5-19-16(21)2-3-17(19)22/h2-3H,4-14H2,1H3,(H,18,20)
InChIKeyQUWAYMVWBFKNSM-UHFFFAOYSA-N
XLogP-1.26
TPSA112.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 5-1.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methoxyacetamide?
The IUPAC name of N-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methoxyacetamide (CID 154586738) is N-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methoxyacetamide.
What is the SMILES notation for N-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methoxyacetamide?
The canonical SMILES for N-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methoxyacetamide is COCC(=O)NCCOCCOCCOCCOCCN1C(=O)C=CC1=O.
What is the InChIKey of N-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methoxyacetamide?
The InChIKey is QUWAYMVWBFKNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O8/c1-23-14-15(20)18-4-6-24-8-10-26-12-13-27-11-9-25-7-5-19-16(21)2-3-17(19)22/h2-3H,4-14H2,1H3,(H,18,20).
What are the key properties of N-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methoxyacetamide?
N-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methoxyacetamide has a molecular weight of 388.42 g/mol, XLogP of -1.26, 17 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methoxyacetamide is sourced from PubChem (CID 154586738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).