N-[5-[2-(2-methoxyethoxy)ethoxy]-7,8-dioxonaphthalen-1-yl]acetamide

C17H19NO6 — CID 129281534

IUPACN-[5-[2-(2-methoxyethoxy)ethoxy]-7,8-dioxonaphthalen-1-yl]acetamide
SMILESCOCCOCCOC1=CC(=O)C(=O)c2c(NC(C)=O)cccc21
InChIInChI=1S/C17H19NO6/c1-11(19)18-13-5-3-4-12-15(10-14(20)17(21)16(12)13)24-9-8-23-7-6-22-2/h3-5,10H,6-9H2,1-2H3,(H,18,19)
InChIKeyGRWHBMCUFRXYOE-UHFFFAOYSA-N
MW333.34 g/mol
LogP1.43
Rot. Bonds8

About N-[5-[2-(2-methoxyethoxy)ethoxy]-7,8-dioxonaphthalen-1-yl]acetamide

N-[5-[2-(2-methoxyethoxy)ethoxy]-7,8-dioxonaphthalen-1-yl]acetamide (PubChem CID 129281534) has the molecular formula C17H19NO6 and a molecular weight of 333.34 g/mol. Its IUPAC name is N-[5-[2-(2-methoxyethoxy)ethoxy]-7,8-dioxonaphthalen-1-yl]acetamide.

Molecular Properties

Compound NameN-[5-[2-(2-methoxyethoxy)ethoxy]-7,8-dioxonaphthalen-1-yl]acetamide
PubChem CID129281534
Molecular FormulaC17H19NO6
Molecular Weight333.34 g/mol
Exact Mass333.12
IUPAC NameN-[5-[2-(2-methoxyethoxy)ethoxy]-7,8-dioxonaphthalen-1-yl]acetamide
SMILESCOCCOCCOC1=CC(=O)C(=O)c2c(NC(C)=O)cccc21
InChIInChI=1S/C17H19NO6/c1-11(19)18-13-5-3-4-12-15(10-14(20)17(21)16(12)13)24-9-8-23-7-6-22-2/h3-5,10H,6-9H2,1-2H3,(H,18,19)
InChIKeyGRWHBMCUFRXYOE-UHFFFAOYSA-N
XLogP1.43
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2-methoxyethoxy)ethoxy]-7,8-dioxonaphthalen-1-yl]acetamide?
The IUPAC name of N-[5-[2-(2-methoxyethoxy)ethoxy]-7,8-dioxonaphthalen-1-yl]acetamide (CID 129281534) is N-[5-[2-(2-methoxyethoxy)ethoxy]-7,8-dioxonaphthalen-1-yl]acetamide.
What is the SMILES notation for N-[5-[2-(2-methoxyethoxy)ethoxy]-7,8-dioxonaphthalen-1-yl]acetamide?
The canonical SMILES for N-[5-[2-(2-methoxyethoxy)ethoxy]-7,8-dioxonaphthalen-1-yl]acetamide is COCCOCCOC1=CC(=O)C(=O)c2c(NC(C)=O)cccc21.
What is the InChIKey of N-[5-[2-(2-methoxyethoxy)ethoxy]-7,8-dioxonaphthalen-1-yl]acetamide?
The InChIKey is GRWHBMCUFRXYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO6/c1-11(19)18-13-5-3-4-12-15(10-14(20)17(21)16(12)13)24-9-8-23-7-6-22-2/h3-5,10H,6-9H2,1-2H3,(H,18,19).
What are the key properties of N-[5-[2-(2-methoxyethoxy)ethoxy]-7,8-dioxonaphthalen-1-yl]acetamide?
N-[5-[2-(2-methoxyethoxy)ethoxy]-7,8-dioxonaphthalen-1-yl]acetamide has a molecular weight of 333.34 g/mol, XLogP of 1.43, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(2-methoxyethoxy)ethoxy]-7,8-dioxonaphthalen-1-yl]acetamide is sourced from PubChem (CID 129281534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).