diethyl 5-[[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]amino]benzene-1,3-dicarboxylate

C23H24N4O6 — CID 55666296

IUPACdiethyl 5-[[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]amino]benzene-1,3-dicarboxylate
SMILESCCOC(=O)c1cc(NC(=O)c2nnn(-c3cccc(OC)c3)c2C)cc(C(=O)OCC)c1
InChIInChI=1S/C23H24N4O6/c1-5-32-22(29)15-10-16(23(30)33-6-2)12-17(11-15)24-21(28)20-14(3)27(26-25-20)18-8-7-9-19(13-18)31-4/h7-13H,5-6H2,1-4H3,(H,24,28)
InChIKeyIQOJIVXVTLSHCG-UHFFFAOYSA-N
MW452.47 g/mol
LogP3.19
Rot. Bonds8

About diethyl 5-[[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]amino]benzene-1,3-dicarboxylate

diethyl 5-[[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]amino]benzene-1,3-dicarboxylate (PubChem CID 55666296) has the molecular formula C23H24N4O6 and a molecular weight of 452.47 g/mol. Its IUPAC name is diethyl 5-[[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]amino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 5-[[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]amino]benzene-1,3-dicarboxylate
PubChem CID55666296
Molecular FormulaC23H24N4O6
Molecular Weight452.47 g/mol
Exact Mass452.17
IUPAC Namediethyl 5-[[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]amino]benzene-1,3-dicarboxylate
SMILESCCOC(=O)c1cc(NC(=O)c2nnn(-c3cccc(OC)c3)c2C)cc(C(=O)OCC)c1
InChIInChI=1S/C23H24N4O6/c1-5-32-22(29)15-10-16(23(30)33-6-2)12-17(11-15)24-21(28)20-14(3)27(26-25-20)18-8-7-9-19(13-18)31-4/h7-13H,5-6H2,1-4H3,(H,24,28)
InChIKeyIQOJIVXVTLSHCG-UHFFFAOYSA-N
XLogP3.19
TPSA121.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.47
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze diethyl 5-[[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]amino]benzene-1,3-dicarboxylate with MolForge

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Related Compounds

ethyl 4-[[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]amino]benzoate
CID 16649100
N-(4-ethylphenyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 16648407
1-(3-methoxyphenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 16648432
1-(3-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide
CID 55667186
methyl 3-[(5-methyl-1-phenyltriazole-4-carbonyl)amino]benzoate
CID 15944111
1-(3-methoxyphenyl)-5-methyl-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]triazole-4-carboxamide
CID 55670673
1-(3-methoxyphenyl)-5-methyl-N-(3-morpholin-4-ylphenyl)triazole-4-carboxamide
CID 55952566
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 38034009
N-[2-(4-bromoanilino)-2-oxoethyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55878500
N-(4-cyclopentylsulfonylphenyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55669945
1-(3-methoxyphenyl)-5-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]triazole-4-carboxamide
CID 55765879
N'-(3,4-dimethoxybenzoyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carbohydrazide
CID 55648326

Frequently Asked Questions

What is the IUPAC name of diethyl 5-[[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]amino]benzene-1,3-dicarboxylate?
The IUPAC name of diethyl 5-[[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]amino]benzene-1,3-dicarboxylate (CID 55666296) is diethyl 5-[[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]amino]benzene-1,3-dicarboxylate.
What is the SMILES notation for diethyl 5-[[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]amino]benzene-1,3-dicarboxylate?
The canonical SMILES for diethyl 5-[[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]amino]benzene-1,3-dicarboxylate is CCOC(=O)c1cc(NC(=O)c2nnn(-c3cccc(OC)c3)c2C)cc(C(=O)OCC)c1.
What is the InChIKey of diethyl 5-[[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]amino]benzene-1,3-dicarboxylate?
The InChIKey is IQOJIVXVTLSHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O6/c1-5-32-22(29)15-10-16(23(30)33-6-2)12-17(11-15)24-21(28)20-14(3)27(26-25-20)18-8-7-9-19(13-18)31-4/h7-13H,5-6H2,1-4H3,(H,24,28).
What are the key properties of diethyl 5-[[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]amino]benzene-1,3-dicarboxylate?
diethyl 5-[[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]amino]benzene-1,3-dicarboxylate has a molecular weight of 452.47 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 5-[[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]amino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 55666296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).