ethyl 2-[[10-(2-ethoxy-2-oxoethoxy)imino-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenylidene]amino]oxyacetate

C23H24N2O6 — CID 88630522

IUPACethyl 2-[[10-(2-ethoxy-2-oxoethoxy)imino-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenylidene]amino]oxyacetate
SMILESCCOC(=O)CON=C1CC(=NOCC(=O)OCC)c2ccccc2-c2ccccc21
InChIInChI=1S/C23H24N2O6/c1-3-28-22(26)14-30-24-20-13-21(25-31-15-23(27)29-4-2)19-12-8-6-10-17(19)16-9-5-7-11-18(16)20/h5-12H,3-4,13-15H2,1-2H3
InChIKeyOLPQEVXZTOCSIR-UHFFFAOYSA-N
MW424.45 g/mol
LogP3.32
Rot. Bonds8

About ethyl 2-[[10-(2-ethoxy-2-oxoethoxy)imino-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenylidene]amino]oxyacetate

ethyl 2-[[10-(2-ethoxy-2-oxoethoxy)imino-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenylidene]amino]oxyacetate (PubChem CID 88630522) has the molecular formula C23H24N2O6 and a molecular weight of 424.45 g/mol. Its IUPAC name is ethyl 2-[[10-(2-ethoxy-2-oxoethoxy)imino-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenylidene]amino]oxyacetate.

Molecular Properties

Compound Nameethyl 2-[[10-(2-ethoxy-2-oxoethoxy)imino-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenylidene]amino]oxyacetate
PubChem CID88630522
Molecular FormulaC23H24N2O6
Molecular Weight424.45 g/mol
Exact Mass424.16
IUPAC Nameethyl 2-[[10-(2-ethoxy-2-oxoethoxy)imino-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenylidene]amino]oxyacetate
SMILESCCOC(=O)CON=C1CC(=NOCC(=O)OCC)c2ccccc2-c2ccccc21
InChIInChI=1S/C23H24N2O6/c1-3-28-22(26)14-30-24-20-13-21(25-31-15-23(27)29-4-2)19-12-8-6-10-17(19)16-9-5-7-11-18(16)20/h5-12H,3-4,13-15H2,1-2H3
InChIKeyOLPQEVXZTOCSIR-UHFFFAOYSA-N
XLogP3.32
TPSA95.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze ethyl 2-[[10-(2-ethoxy-2-oxoethoxy)imino-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenylidene]amino]oxyacetate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[10-(2-ethoxy-2-oxoethoxy)imino-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenylidene]amino]oxyacetate?
The IUPAC name of ethyl 2-[[10-(2-ethoxy-2-oxoethoxy)imino-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenylidene]amino]oxyacetate (CID 88630522) is ethyl 2-[[10-(2-ethoxy-2-oxoethoxy)imino-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenylidene]amino]oxyacetate.
What is the SMILES notation for ethyl 2-[[10-(2-ethoxy-2-oxoethoxy)imino-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenylidene]amino]oxyacetate?
The canonical SMILES for ethyl 2-[[10-(2-ethoxy-2-oxoethoxy)imino-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenylidene]amino]oxyacetate is CCOC(=O)CON=C1CC(=NOCC(=O)OCC)c2ccccc2-c2ccccc21.
What is the InChIKey of ethyl 2-[[10-(2-ethoxy-2-oxoethoxy)imino-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenylidene]amino]oxyacetate?
The InChIKey is OLPQEVXZTOCSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O6/c1-3-28-22(26)14-30-24-20-13-21(25-31-15-23(27)29-4-2)19-12-8-6-10-17(19)16-9-5-7-11-18(16)20/h5-12H,3-4,13-15H2,1-2H3.
What are the key properties of ethyl 2-[[10-(2-ethoxy-2-oxoethoxy)imino-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenylidene]amino]oxyacetate?
ethyl 2-[[10-(2-ethoxy-2-oxoethoxy)imino-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenylidene]amino]oxyacetate has a molecular weight of 424.45 g/mol, XLogP of 3.32, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[10-(2-ethoxy-2-oxoethoxy)imino-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenylidene]amino]oxyacetate is sourced from PubChem (CID 88630522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).