diethyl 2-[(3-methoxyphenyl)methyl]-10-methyl-3-oxo-2,11-diazatricyclo[5.3.1.04,11]undeca-1(10),4,6,8-tetraene-5,6-dicarboxylate

C24H24N2O6 — CID 138980444

IUPACdiethyl 2-[(3-methoxyphenyl)methyl]-10-methyl-3-oxo-2,11-diazatricyclo[5.3.1.04,11]undeca-1(10),4,6,8-tetraene-5,6-dicarboxylate
SMILESCCOC(=O)c1c(C(=O)OCC)c2c(=O)n(Cc3cccc(OC)c3)c3c(C)ccc1n23
InChIInChI=1S/C24H24N2O6/c1-5-31-23(28)18-17-11-10-14(3)21-25(13-15-8-7-9-16(12-15)30-4)22(27)20(26(17)21)19(18)24(29)32-6-2/h7-12H,5-6,13H2,1-4H3
InChIKeyZDMKKHNNMJAIER-UHFFFAOYSA-N
MW436.46 g/mol
LogP3.41
Rot. Bonds7

About diethyl 2-[(3-methoxyphenyl)methyl]-10-methyl-3-oxo-2,11-diazatricyclo[5.3.1.04,11]undeca-1(10),4,6,8-tetraene-5,6-dicarboxylate

diethyl 2-[(3-methoxyphenyl)methyl]-10-methyl-3-oxo-2,11-diazatricyclo[5.3.1.04,11]undeca-1(10),4,6,8-tetraene-5,6-dicarboxylate (PubChem CID 138980444) has the molecular formula C24H24N2O6 and a molecular weight of 436.46 g/mol. Its IUPAC name is diethyl 2-[(3-methoxyphenyl)methyl]-10-methyl-3-oxo-2,11-diazatricyclo[5.3.1.04,11]undeca-1(10),4,6,8-tetraene-5,6-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-[(3-methoxyphenyl)methyl]-10-methyl-3-oxo-2,11-diazatricyclo[5.3.1.04,11]undeca-1(10),4,6,8-tetraene-5,6-dicarboxylate
PubChem CID138980444
Molecular FormulaC24H24N2O6
Molecular Weight436.46 g/mol
Exact Mass436.16
IUPAC Namediethyl 2-[(3-methoxyphenyl)methyl]-10-methyl-3-oxo-2,11-diazatricyclo[5.3.1.04,11]undeca-1(10),4,6,8-tetraene-5,6-dicarboxylate
SMILESCCOC(=O)c1c(C(=O)OCC)c2c(=O)n(Cc3cccc(OC)c3)c3c(C)ccc1n23
InChIInChI=1S/C24H24N2O6/c1-5-31-23(28)18-17-11-10-14(3)21-25(13-15-8-7-9-16(12-15)30-4)22(27)20(26(17)21)19(18)24(29)32-6-2/h7-12H,5-6,13H2,1-4H3
InChIKeyZDMKKHNNMJAIER-UHFFFAOYSA-N
XLogP3.41
TPSA88.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze diethyl 2-[(3-methoxyphenyl)methyl]-10-methyl-3-oxo-2,11-diazatricyclo[5.3.1.04,11]undeca-1(10),4,6,8-tetraene-5,6-dicarboxylate with MolForge

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Related Compounds

ethyl 4-[(3-methoxyphenyl)methyl]-5-methyl-1,2,4-triazole-3-carboxylate
CID 83232650
ethyl 1-[(3-methoxyphenyl)methyl]tetrazole-5-carboxylate
CID 79317603
ethyl 5-(chloromethyl)-1-[(3-methoxyphenyl)methyl]triazole-4-carboxylate
CID 103109114
ethyl 2,3,7-tribromo-4-hydroxy-1-[(3-methoxyphenyl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylate
CID 86617376
ethyl 1-[2-(3-methoxyphenyl)ethyl]indole-2-carboxylate
CID 68856722
ethyl 5-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate
CID 68699963
3-[5-ethoxycarbonyl-1-[(3-methoxyphenyl)methyl]-2,4-dimethylpyrrol-3-yl]propanoic acid
CID 53213796
3-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide
CID 68724550
ethyl 4-[[2-[3-[(3-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetyl]amino]benzoate
CID 46922954
2-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]-3,5-dioxo-N-propyl-1,2,4-triazine-6-carboxamide
CID 46005441
ethyl 1-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-1,5-naphthyridine-3-carboxylate
CID 143011204
ethyl 7-(dimethylaminomethylidene)-1-[(3-methoxyphenyl)methyl]-8-oxo-5,6-dihydro-4H-cyclohepta[b]pyrrole-2-carboxylate
CID 122705203

Frequently Asked Questions

What is the IUPAC name of diethyl 2-[(3-methoxyphenyl)methyl]-10-methyl-3-oxo-2,11-diazatricyclo[5.3.1.04,11]undeca-1(10),4,6,8-tetraene-5,6-dicarboxylate?
The IUPAC name of diethyl 2-[(3-methoxyphenyl)methyl]-10-methyl-3-oxo-2,11-diazatricyclo[5.3.1.04,11]undeca-1(10),4,6,8-tetraene-5,6-dicarboxylate (CID 138980444) is diethyl 2-[(3-methoxyphenyl)methyl]-10-methyl-3-oxo-2,11-diazatricyclo[5.3.1.04,11]undeca-1(10),4,6,8-tetraene-5,6-dicarboxylate.
What is the SMILES notation for diethyl 2-[(3-methoxyphenyl)methyl]-10-methyl-3-oxo-2,11-diazatricyclo[5.3.1.04,11]undeca-1(10),4,6,8-tetraene-5,6-dicarboxylate?
The canonical SMILES for diethyl 2-[(3-methoxyphenyl)methyl]-10-methyl-3-oxo-2,11-diazatricyclo[5.3.1.04,11]undeca-1(10),4,6,8-tetraene-5,6-dicarboxylate is CCOC(=O)c1c(C(=O)OCC)c2c(=O)n(Cc3cccc(OC)c3)c3c(C)ccc1n23.
What is the InChIKey of diethyl 2-[(3-methoxyphenyl)methyl]-10-methyl-3-oxo-2,11-diazatricyclo[5.3.1.04,11]undeca-1(10),4,6,8-tetraene-5,6-dicarboxylate?
The InChIKey is ZDMKKHNNMJAIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O6/c1-5-31-23(28)18-17-11-10-14(3)21-25(13-15-8-7-9-16(12-15)30-4)22(27)20(26(17)21)19(18)24(29)32-6-2/h7-12H,5-6,13H2,1-4H3.
What are the key properties of diethyl 2-[(3-methoxyphenyl)methyl]-10-methyl-3-oxo-2,11-diazatricyclo[5.3.1.04,11]undeca-1(10),4,6,8-tetraene-5,6-dicarboxylate?
diethyl 2-[(3-methoxyphenyl)methyl]-10-methyl-3-oxo-2,11-diazatricyclo[5.3.1.04,11]undeca-1(10),4,6,8-tetraene-5,6-dicarboxylate has a molecular weight of 436.46 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[(3-methoxyphenyl)methyl]-10-methyl-3-oxo-2,11-diazatricyclo[5.3.1.04,11]undeca-1(10),4,6,8-tetraene-5,6-dicarboxylate is sourced from PubChem (CID 138980444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).