6-ethoxy-9,11,11-trimethyl-3-(4-methylphenyl)imino-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-2-one

C23H24N2O2 — CID 1494670

IUPAC6-ethoxy-9,11,11-trimethyl-3-(4-methylphenyl)imino-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-2-one
SMILESCCOc1cc2c3c(c1)/C(=N/c1ccc(C)cc1)C(=O)N3C(C)(C)C=C2C
InChIInChI=1S/C23H24N2O2/c1-6-27-17-11-18-15(3)13-23(4,5)25-21(18)19(12-17)20(22(25)26)24-16-9-7-14(2)8-10-16/h7-13H,6H2,1-5H3/b24-20-
InChIKeyKGEXZXXHPOCCAN-GFMRDNFCSA-N
MW360.46 g/mol
LogP5.06
Rot. Bonds3

About 6-ethoxy-9,11,11-trimethyl-3-(4-methylphenyl)imino-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-2-one

6-ethoxy-9,11,11-trimethyl-3-(4-methylphenyl)imino-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-2-one (PubChem CID 1494670) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 6-ethoxy-9,11,11-trimethyl-3-(4-methylphenyl)imino-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-2-one.

Molecular Properties

Compound Name6-ethoxy-9,11,11-trimethyl-3-(4-methylphenyl)imino-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-2-one
PubChem CID1494670
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name6-ethoxy-9,11,11-trimethyl-3-(4-methylphenyl)imino-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-2-one
SMILESCCOc1cc2c3c(c1)/C(=N/c1ccc(C)cc1)C(=O)N3C(C)(C)C=C2C
InChIInChI=1S/C23H24N2O2/c1-6-27-17-11-18-15(3)13-23(4,5)25-21(18)19(12-17)20(22(25)26)24-16-9-7-14(2)8-10-16/h7-13H,6H2,1-5H3/b24-20-
InChIKeyKGEXZXXHPOCCAN-GFMRDNFCSA-N
XLogP5.06
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-ethoxy-9,11,11-trimethyl-3-(4-methylphenyl)imino-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-2-one 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 6-ethoxy-9,11,11-trimethyl-3-(4-methylphenyl)imino-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-2-one?
The IUPAC name of 6-ethoxy-9,11,11-trimethyl-3-(4-methylphenyl)imino-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-2-one (CID 1494670) is 6-ethoxy-9,11,11-trimethyl-3-(4-methylphenyl)imino-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-2-one.
What is the SMILES notation for 6-ethoxy-9,11,11-trimethyl-3-(4-methylphenyl)imino-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-2-one?
The canonical SMILES for 6-ethoxy-9,11,11-trimethyl-3-(4-methylphenyl)imino-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-2-one is CCOc1cc2c3c(c1)/C(=N/c1ccc(C)cc1)C(=O)N3C(C)(C)C=C2C.
What is the InChIKey of 6-ethoxy-9,11,11-trimethyl-3-(4-methylphenyl)imino-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-2-one?
The InChIKey is KGEXZXXHPOCCAN-GFMRDNFCSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-6-27-17-11-18-15(3)13-23(4,5)25-21(18)19(12-17)20(22(25)26)24-16-9-7-14(2)8-10-16/h7-13H,6H2,1-5H3/b24-20-.
What are the key properties of 6-ethoxy-9,11,11-trimethyl-3-(4-methylphenyl)imino-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-2-one?
6-ethoxy-9,11,11-trimethyl-3-(4-methylphenyl)imino-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-2-one has a molecular weight of 360.46 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-9,11,11-trimethyl-3-(4-methylphenyl)imino-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-2-one is sourced from PubChem (CID 1494670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).