[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate

C26H21N3O7 — CID 27704357

IUPAC[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
SMILESCOc1cc2c(cc1NC(=O)COC(=O)c1ccc(CN3C(=O)CNC3=O)cc1)oc1ccccc12
InChIInChI=1S/C26H21N3O7/c1-34-22-10-18-17-4-2-3-5-20(17)36-21(18)11-19(22)28-23(30)14-35-25(32)16-8-6-15(7-9-16)13-29-24(31)12-27-26(29)33/h2-11H,12-14H2,1H3,(H,27,33)(H,28,30)
InChIKeyYKPUHPPRIIZATA-UHFFFAOYSA-N
MW487.47 g/mol
LogP3.44
Rot. Bonds7

About [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate

[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate (PubChem CID 27704357) has the molecular formula C26H21N3O7 and a molecular weight of 487.47 g/mol. Its IUPAC name is [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate.

Molecular Properties

Compound Name[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
PubChem CID27704357
Molecular FormulaC26H21N3O7
Molecular Weight487.47 g/mol
Exact Mass487.14
IUPAC Name[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
SMILESCOc1cc2c(cc1NC(=O)COC(=O)c1ccc(CN3C(=O)CNC3=O)cc1)oc1ccccc12
InChIInChI=1S/C26H21N3O7/c1-34-22-10-18-17-4-2-3-5-20(17)36-21(18)11-19(22)28-23(30)14-35-25(32)16-8-6-15(7-9-16)13-29-24(31)12-27-26(29)33/h2-11H,12-14H2,1H3,(H,27,33)(H,28,30)
InChIKeyYKPUHPPRIIZATA-UHFFFAOYSA-N
XLogP3.44
TPSA127.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.47
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 4-(diethylamino)benzoate
CID 2078838
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 7833842
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 2579993
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] cyclopropanecarboxylate
CID 2510908
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 8612861
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 1-benzyltriazole-4-carboxylate
CID 55517288
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 1-methyl-6-oxopyridazine-3-carboxylate
CID 55361814
(2-methoxy-2-oxoethyl) 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 16585574
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate
CID 4170376
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxydibenzofuran-3-yl)butanamide
CID 2219830
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 1-oxidopyridin-1-ium-2-carboxylate
CID 7774259
6-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxydibenzofuran-3-yl)hexanamide
CID 2219851

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate?
The IUPAC name of [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate (CID 27704357) is [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate.
What is the SMILES notation for [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate?
The canonical SMILES for [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate is COc1cc2c(cc1NC(=O)COC(=O)c1ccc(CN3C(=O)CNC3=O)cc1)oc1ccccc12.
What is the InChIKey of [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate?
The InChIKey is YKPUHPPRIIZATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O7/c1-34-22-10-18-17-4-2-3-5-20(17)36-21(18)11-19(22)28-23(30)14-35-25(32)16-8-6-15(7-9-16)13-29-24(31)12-27-26(29)33/h2-11H,12-14H2,1H3,(H,27,33)(H,28,30).
What are the key properties of [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate?
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate has a molecular weight of 487.47 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate is sourced from PubChem (CID 27704357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).