2-methoxy-N-(2-methoxyethyl)-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide

C20H24N2O6 — CID 11632476

IUPAC2-methoxy-N-(2-methoxyethyl)-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide
SMILESCOCCN(C(=O)COC)C1=C(N2CCOCC2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H24N2O6/c1-26-10-9-22(16(23)13-27-2)18-17(21-7-11-28-12-8-21)19(24)14-5-3-4-6-15(14)20(18)25/h3-6H,7-13H2,1-2H3
InChIKeyQWJDGGYVRBUETQ-UHFFFAOYSA-N
MW388.42 g/mol
LogP0.73
Rot. Bonds7

About 2-methoxy-N-(2-methoxyethyl)-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide

2-methoxy-N-(2-methoxyethyl)-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide (PubChem CID 11632476) has the molecular formula C20H24N2O6 and a molecular weight of 388.42 g/mol. Its IUPAC name is 2-methoxy-N-(2-methoxyethyl)-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide.

Molecular Properties

Compound Name2-methoxy-N-(2-methoxyethyl)-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide
PubChem CID11632476
Molecular FormulaC20H24N2O6
Molecular Weight388.42 g/mol
Exact Mass388.16
IUPAC Name2-methoxy-N-(2-methoxyethyl)-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide
SMILESCOCCN(C(=O)COC)C1=C(N2CCOCC2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H24N2O6/c1-26-10-9-22(16(23)13-27-2)18-17(21-7-11-28-12-8-21)19(24)14-5-3-4-6-15(14)20(18)25/h3-6H,7-13H2,1-2H3
InChIKeyQWJDGGYVRBUETQ-UHFFFAOYSA-N
XLogP0.73
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2-methoxyethyl)-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide?
The IUPAC name of 2-methoxy-N-(2-methoxyethyl)-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide (CID 11632476) is 2-methoxy-N-(2-methoxyethyl)-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide.
What is the SMILES notation for 2-methoxy-N-(2-methoxyethyl)-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide?
The canonical SMILES for 2-methoxy-N-(2-methoxyethyl)-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide is COCCN(C(=O)COC)C1=C(N2CCOCC2)C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-methoxy-N-(2-methoxyethyl)-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide?
The InChIKey is QWJDGGYVRBUETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6/c1-26-10-9-22(16(23)13-27-2)18-17(21-7-11-28-12-8-21)19(24)14-5-3-4-6-15(14)20(18)25/h3-6H,7-13H2,1-2H3.
What are the key properties of 2-methoxy-N-(2-methoxyethyl)-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide?
2-methoxy-N-(2-methoxyethyl)-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide has a molecular weight of 388.42 g/mol, XLogP of 0.73, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-methoxyethyl)-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide is sourced from PubChem (CID 11632476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).