diethyl 5-[[2-(2,4,5-trimethoxybenzoyl)oxyacetyl]amino]benzene-1,3-dicarboxylate

C24H27NO10 — CID 3572922

IUPACdiethyl 5-[[2-(2,4,5-trimethoxybenzoyl)oxyacetyl]amino]benzene-1,3-dicarboxylate
SMILESCCOC(=O)c1cc(NC(=O)COC(=O)c2cc(OC)c(OC)cc2OC)cc(C(=O)OCC)c1
InChIInChI=1S/C24H27NO10/c1-6-33-22(27)14-8-15(23(28)34-7-2)10-16(9-14)25-21(26)13-35-24(29)17-11-19(31-4)20(32-5)12-18(17)30-3/h8-12H,6-7,13H2,1-5H3,(H,25,26)
InChIKeyPCCSCJOSUNJVPN-UHFFFAOYSA-N
MW489.48 g/mol
LogP2.86
Rot. Bonds11

About diethyl 5-[[2-(2,4,5-trimethoxybenzoyl)oxyacetyl]amino]benzene-1,3-dicarboxylate

diethyl 5-[[2-(2,4,5-trimethoxybenzoyl)oxyacetyl]amino]benzene-1,3-dicarboxylate (PubChem CID 3572922) has the molecular formula C24H27NO10 and a molecular weight of 489.48 g/mol. Its IUPAC name is diethyl 5-[[2-(2,4,5-trimethoxybenzoyl)oxyacetyl]amino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 5-[[2-(2,4,5-trimethoxybenzoyl)oxyacetyl]amino]benzene-1,3-dicarboxylate
PubChem CID3572922
Molecular FormulaC24H27NO10
Molecular Weight489.48 g/mol
Exact Mass489.16
IUPAC Namediethyl 5-[[2-(2,4,5-trimethoxybenzoyl)oxyacetyl]amino]benzene-1,3-dicarboxylate
SMILESCCOC(=O)c1cc(NC(=O)COC(=O)c2cc(OC)c(OC)cc2OC)cc(C(=O)OCC)c1
InChIInChI=1S/C24H27NO10/c1-6-33-22(27)14-8-15(23(28)34-7-2)10-16(9-14)25-21(26)13-35-24(29)17-11-19(31-4)20(32-5)12-18(17)30-3/h8-12H,6-7,13H2,1-5H3,(H,25,26)
InChIKeyPCCSCJOSUNJVPN-UHFFFAOYSA-N
XLogP2.86
TPSA135.69 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.48
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

[2-(3,5-dimethylanilino)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 2566389
[2-(4-acetamidoanilino)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 2566522
diethyl 5-[[2-(2,5-dimethylfuran-3-carbonyl)oxyacetyl]amino]benzene-1,3-dicarboxylate
CID 2584527
dimethyl 5-[[2-(3-ethoxy-4-methoxybenzoyl)oxyacetyl]amino]benzene-1,3-dicarboxylate
CID 29458941
[2-(4-ethoxycarbonylanilino)-2-oxoethyl] 3-amino-4-methoxybenzoate
CID 53269984
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2,4,5-trimethoxybenzoate
CID 7394924
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2,4,5-trimethoxybenzoate
CID 55316135
diethyl 5-[(2-bromoacetyl)amino]benzene-1,3-dicarboxylate
CID 60651216
[2-(2-carbamoylanilino)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 7395034
[2-(2-fluoroanilino)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 2566490
[2-(3,5-dimethylanilino)-2-oxoethyl] 4,5-dimethoxy-2-nitrobenzoate
CID 2615434
[2-(4-ethoxycarbonylanilino)-2-oxoethyl] 3,5-dimethylbenzoate
CID 7749602

Frequently Asked Questions

What is the IUPAC name of diethyl 5-[[2-(2,4,5-trimethoxybenzoyl)oxyacetyl]amino]benzene-1,3-dicarboxylate?
The IUPAC name of diethyl 5-[[2-(2,4,5-trimethoxybenzoyl)oxyacetyl]amino]benzene-1,3-dicarboxylate (CID 3572922) is diethyl 5-[[2-(2,4,5-trimethoxybenzoyl)oxyacetyl]amino]benzene-1,3-dicarboxylate.
What is the SMILES notation for diethyl 5-[[2-(2,4,5-trimethoxybenzoyl)oxyacetyl]amino]benzene-1,3-dicarboxylate?
The canonical SMILES for diethyl 5-[[2-(2,4,5-trimethoxybenzoyl)oxyacetyl]amino]benzene-1,3-dicarboxylate is CCOC(=O)c1cc(NC(=O)COC(=O)c2cc(OC)c(OC)cc2OC)cc(C(=O)OCC)c1.
What is the InChIKey of diethyl 5-[[2-(2,4,5-trimethoxybenzoyl)oxyacetyl]amino]benzene-1,3-dicarboxylate?
The InChIKey is PCCSCJOSUNJVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO10/c1-6-33-22(27)14-8-15(23(28)34-7-2)10-16(9-14)25-21(26)13-35-24(29)17-11-19(31-4)20(32-5)12-18(17)30-3/h8-12H,6-7,13H2,1-5H3,(H,25,26).
What are the key properties of diethyl 5-[[2-(2,4,5-trimethoxybenzoyl)oxyacetyl]amino]benzene-1,3-dicarboxylate?
diethyl 5-[[2-(2,4,5-trimethoxybenzoyl)oxyacetyl]amino]benzene-1,3-dicarboxylate has a molecular weight of 489.48 g/mol, XLogP of 2.86, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 5-[[2-(2,4,5-trimethoxybenzoyl)oxyacetyl]amino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 3572922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).