[2-[[ethoxycarbonyl(methyl)amino]methoxy]benzoyl] 2-[[ethoxycarbonyl(methyl)amino]methoxy]benzenecarboperoxoate

C24H28N2O10 — CID 53245275

IUPAC[2-[[ethoxycarbonyl(methyl)amino]methoxy]benzoyl] 2-[[ethoxycarbonyl(methyl)amino]methoxy]benzenecarboperoxoate
SMILESCCOC(=O)N(C)COc1ccccc1C(=O)OOC(=O)c1ccccc1OCN(C)C(=O)OCC
InChIInChI=1S/C24H28N2O10/c1-5-31-23(29)25(3)15-33-19-13-9-7-11-17(19)21(27)35-36-22(28)18-12-8-10-14-20(18)34-16-26(4)24(30)32-6-2/h7-14H,5-6,15-16H2,1-4H3
InChIKeyRPPYOXYROMQMNI-UHFFFAOYSA-N
MW504.49 g/mol
LogP3.46
Rot. Bonds10

About [2-[[ethoxycarbonyl(methyl)amino]methoxy]benzoyl] 2-[[ethoxycarbonyl(methyl)amino]methoxy]benzenecarboperoxoate

[2-[[ethoxycarbonyl(methyl)amino]methoxy]benzoyl] 2-[[ethoxycarbonyl(methyl)amino]methoxy]benzenecarboperoxoate (PubChem CID 53245275) has the molecular formula C24H28N2O10 and a molecular weight of 504.49 g/mol. Its IUPAC name is [2-[[ethoxycarbonyl(methyl)amino]methoxy]benzoyl] 2-[[ethoxycarbonyl(methyl)amino]methoxy]benzenecarboperoxoate.

Molecular Properties

Compound Name[2-[[ethoxycarbonyl(methyl)amino]methoxy]benzoyl] 2-[[ethoxycarbonyl(methyl)amino]methoxy]benzenecarboperoxoate
PubChem CID53245275
Molecular FormulaC24H28N2O10
Molecular Weight504.49 g/mol
Exact Mass504.17
IUPAC Name[2-[[ethoxycarbonyl(methyl)amino]methoxy]benzoyl] 2-[[ethoxycarbonyl(methyl)amino]methoxy]benzenecarboperoxoate
SMILESCCOC(=O)N(C)COc1ccccc1C(=O)OOC(=O)c1ccccc1OCN(C)C(=O)OCC
InChIInChI=1S/C24H28N2O10/c1-5-31-23(29)25(3)15-33-19-13-9-7-11-17(19)21(27)35-36-22(28)18-12-8-10-14-20(18)34-16-26(4)24(30)32-6-2/h7-14H,5-6,15-16H2,1-4H3
InChIKeyRPPYOXYROMQMNI-UHFFFAOYSA-N
XLogP3.46
TPSA130.14 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.49
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[[ethoxycarbonyl(methyl)amino]methoxy]benzoyl] 2-[[ethoxycarbonyl(methyl)amino]methoxy]benzenecarboperoxoate?
The IUPAC name of [2-[[ethoxycarbonyl(methyl)amino]methoxy]benzoyl] 2-[[ethoxycarbonyl(methyl)amino]methoxy]benzenecarboperoxoate (CID 53245275) is [2-[[ethoxycarbonyl(methyl)amino]methoxy]benzoyl] 2-[[ethoxycarbonyl(methyl)amino]methoxy]benzenecarboperoxoate.
What is the SMILES notation for [2-[[ethoxycarbonyl(methyl)amino]methoxy]benzoyl] 2-[[ethoxycarbonyl(methyl)amino]methoxy]benzenecarboperoxoate?
The canonical SMILES for [2-[[ethoxycarbonyl(methyl)amino]methoxy]benzoyl] 2-[[ethoxycarbonyl(methyl)amino]methoxy]benzenecarboperoxoate is CCOC(=O)N(C)COc1ccccc1C(=O)OOC(=O)c1ccccc1OCN(C)C(=O)OCC.
What is the InChIKey of [2-[[ethoxycarbonyl(methyl)amino]methoxy]benzoyl] 2-[[ethoxycarbonyl(methyl)amino]methoxy]benzenecarboperoxoate?
The InChIKey is RPPYOXYROMQMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O10/c1-5-31-23(29)25(3)15-33-19-13-9-7-11-17(19)21(27)35-36-22(28)18-12-8-10-14-20(18)34-16-26(4)24(30)32-6-2/h7-14H,5-6,15-16H2,1-4H3.
What are the key properties of [2-[[ethoxycarbonyl(methyl)amino]methoxy]benzoyl] 2-[[ethoxycarbonyl(methyl)amino]methoxy]benzenecarboperoxoate?
[2-[[ethoxycarbonyl(methyl)amino]methoxy]benzoyl] 2-[[ethoxycarbonyl(methyl)amino]methoxy]benzenecarboperoxoate has a molecular weight of 504.49 g/mol, XLogP of 3.46, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[ethoxycarbonyl(methyl)amino]methoxy]benzoyl] 2-[[ethoxycarbonyl(methyl)amino]methoxy]benzenecarboperoxoate is sourced from PubChem (CID 53245275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).