copper bis(2-[(E)-N-ethoxy-C-methylcarbonimidoyl]naphthalen-1-olate)

C28H28CuN2O4 — CID 139080259

IUPACcopper bis(2-[(E)-N-ethoxy-C-methylcarbonimidoyl]naphthalen-1-olate)
SMILESCCO/N=C(\C)c1ccc2ccccc2c1[O-].CCO/N=C(\C)c1ccc2ccccc2c1[O-].[Cu+2]
InChIInChI=1S/2C14H15NO2.Cu/c2*1-3-17-15-10(2)12-9-8-11-6-4-5-7-13(11)14(12)16;/h2*4-9,16H,3H2,1-2H3;/q;;+2/p-2/b2*15-10+;
InChIKeyCQTWAJBAMUPQBG-ZQSWXEMLSA-L
MW520.09 g/mol
LogP5.35
Rot. Bonds6

About copper bis(2-[(E)-N-ethoxy-C-methylcarbonimidoyl]naphthalen-1-olate)

copper bis(2-[(E)-N-ethoxy-C-methylcarbonimidoyl]naphthalen-1-olate) (PubChem CID 139080259) has the molecular formula C28H28CuN2O4 and a molecular weight of 520.09 g/mol. Its IUPAC name is copper bis(2-[(E)-N-ethoxy-C-methylcarbonimidoyl]naphthalen-1-olate).

Molecular Properties

Compound Namecopper bis(2-[(E)-N-ethoxy-C-methylcarbonimidoyl]naphthalen-1-olate)
PubChem CID139080259
Molecular FormulaC28H28CuN2O4
Molecular Weight520.09 g/mol
Exact Mass519.13
IUPAC Namecopper bis(2-[(E)-N-ethoxy-C-methylcarbonimidoyl]naphthalen-1-olate)
SMILESCCO/N=C(\C)c1ccc2ccccc2c1[O-].CCO/N=C(\C)c1ccc2ccccc2c1[O-].[Cu+2]
InChIInChI=1S/2C14H15NO2.Cu/c2*1-3-17-15-10(2)12-9-8-11-6-4-5-7-13(11)14(12)16;/h2*4-9,16H,3H2,1-2H3;/q;;+2/p-2/b2*15-10+;
InChIKeyCQTWAJBAMUPQBG-ZQSWXEMLSA-L
XLogP5.35
TPSA89.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.09
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze copper bis(2-[(E)-N-ethoxy-C-methylcarbonimidoyl]naphthalen-1-olate) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of copper bis(2-[(E)-N-ethoxy-C-methylcarbonimidoyl]naphthalen-1-olate)?
The IUPAC name of copper bis(2-[(E)-N-ethoxy-C-methylcarbonimidoyl]naphthalen-1-olate) (CID 139080259) is copper bis(2-[(E)-N-ethoxy-C-methylcarbonimidoyl]naphthalen-1-olate).
What is the SMILES notation for copper bis(2-[(E)-N-ethoxy-C-methylcarbonimidoyl]naphthalen-1-olate)?
The canonical SMILES for copper bis(2-[(E)-N-ethoxy-C-methylcarbonimidoyl]naphthalen-1-olate) is CCO/N=C(\C)c1ccc2ccccc2c1[O-].CCO/N=C(\C)c1ccc2ccccc2c1[O-].[Cu+2].
What is the InChIKey of copper bis(2-[(E)-N-ethoxy-C-methylcarbonimidoyl]naphthalen-1-olate)?
The InChIKey is CQTWAJBAMUPQBG-ZQSWXEMLSA-L. The full InChI is InChI=1S/2C14H15NO2.Cu/c2*1-3-17-15-10(2)12-9-8-11-6-4-5-7-13(11)14(12)16;/h2*4-9,16H,3H2,1-2H3;/q;;+2/p-2/b2*15-10+;.
What are the key properties of copper bis(2-[(E)-N-ethoxy-C-methylcarbonimidoyl]naphthalen-1-olate)?
copper bis(2-[(E)-N-ethoxy-C-methylcarbonimidoyl]naphthalen-1-olate) has a molecular weight of 520.09 g/mol, XLogP of 5.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(2-[(E)-N-ethoxy-C-methylcarbonimidoyl]naphthalen-1-olate) is sourced from PubChem (CID 139080259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).