[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 1-benzyltriazole-4-carboxylate

C25H20N4O5 — CID 55517288

IUPAC[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 1-benzyltriazole-4-carboxylate
SMILESCOc1cc2c(cc1NC(=O)COC(=O)c1cn(Cc3ccccc3)nn1)oc1ccccc12
InChIInChI=1S/C25H20N4O5/c1-32-23-11-18-17-9-5-6-10-21(17)34-22(18)12-19(23)26-24(30)15-33-25(31)20-14-29(28-27-20)13-16-7-3-2-4-8-16/h2-12,14H,13,15H2,1H3,(H,26,30)
InChIKeyCKAXHBWBEHDRLT-UHFFFAOYSA-N
MW456.46 g/mol
LogP4.03
Rot. Bonds7

About [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 1-benzyltriazole-4-carboxylate

[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 1-benzyltriazole-4-carboxylate (PubChem CID 55517288) has the molecular formula C25H20N4O5 and a molecular weight of 456.46 g/mol. Its IUPAC name is [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 1-benzyltriazole-4-carboxylate.

Molecular Properties

Compound Name[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 1-benzyltriazole-4-carboxylate
PubChem CID55517288
Molecular FormulaC25H20N4O5
Molecular Weight456.46 g/mol
Exact Mass456.14
IUPAC Name[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 1-benzyltriazole-4-carboxylate
SMILESCOc1cc2c(cc1NC(=O)COC(=O)c1cn(Cc3ccccc3)nn1)oc1ccccc12
InChIInChI=1S/C25H20N4O5/c1-32-23-11-18-17-9-5-6-10-21(17)34-22(18)12-19(23)26-24(30)15-33-25(31)20-14-29(28-27-20)13-16-7-3-2-4-8-16/h2-12,14H,13,15H2,1H3,(H,26,30)
InChIKeyCKAXHBWBEHDRLT-UHFFFAOYSA-N
XLogP4.03
TPSA108.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.46
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 1-methyl-6-oxopyridazine-3-carboxylate
CID 55361814
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 27704357
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-hydroxy-2-phenylacetate
CID 23911923
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate
CID 16525047
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 2437991
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] cyclopropanecarboxylate
CID 2510908
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 7833842
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 1-oxidopyridin-1-ium-2-carboxylate
CID 7774259
[2-(4-ethylanilino)-2-oxoethyl] 1-benzyltriazole-4-carboxylate
CID 55640770
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(methanesulfonamido)benzoate
CID 16519120
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 4-(diethylamino)benzoate
CID 2078838
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 8612861

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 1-benzyltriazole-4-carboxylate?
The IUPAC name of [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 1-benzyltriazole-4-carboxylate (CID 55517288) is [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 1-benzyltriazole-4-carboxylate.
What is the SMILES notation for [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 1-benzyltriazole-4-carboxylate?
The canonical SMILES for [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 1-benzyltriazole-4-carboxylate is COc1cc2c(cc1NC(=O)COC(=O)c1cn(Cc3ccccc3)nn1)oc1ccccc12.
What is the InChIKey of [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 1-benzyltriazole-4-carboxylate?
The InChIKey is CKAXHBWBEHDRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O5/c1-32-23-11-18-17-9-5-6-10-21(17)34-22(18)12-19(23)26-24(30)15-33-25(31)20-14-29(28-27-20)13-16-7-3-2-4-8-16/h2-12,14H,13,15H2,1H3,(H,26,30).
What are the key properties of [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 1-benzyltriazole-4-carboxylate?
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 1-benzyltriazole-4-carboxylate has a molecular weight of 456.46 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 1-benzyltriazole-4-carboxylate is sourced from PubChem (CID 55517288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).