3-O-[2-(4-ethoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,3-dicarboxylate

C19H19NO6 — CID 46860632

IUPAC3-O-[2-(4-ethoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,3-dicarboxylate
SMILESCCOc1ccc(NC(=O)COC(=O)c2cccc(C(=O)OC)c2)cc1
InChIInChI=1S/C19H19NO6/c1-3-25-16-9-7-15(8-10-16)20-17(21)12-26-19(23)14-6-4-5-13(11-14)18(22)24-2/h4-11H,3,12H2,1-2H3,(H,20,21)
InChIKeyCVKPDEPWFIEPQL-UHFFFAOYSA-N
MW357.36 g/mol
LogP2.67
Rot. Bonds7

About 3-O-[2-(4-ethoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,3-dicarboxylate

3-O-[2-(4-ethoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,3-dicarboxylate (PubChem CID 46860632) has the molecular formula C19H19NO6 and a molecular weight of 357.36 g/mol. Its IUPAC name is 3-O-[2-(4-ethoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,3-dicarboxylate.

Molecular Properties

Compound Name3-O-[2-(4-ethoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,3-dicarboxylate
PubChem CID46860632
Molecular FormulaC19H19NO6
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC Name3-O-[2-(4-ethoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,3-dicarboxylate
SMILESCCOc1ccc(NC(=O)COC(=O)c2cccc(C(=O)OC)c2)cc1
InChIInChI=1S/C19H19NO6/c1-3-25-16-9-7-15(8-10-16)20-17(21)12-26-19(23)14-6-4-5-13(11-14)18(22)24-2/h4-11H,3,12H2,1-2H3,(H,20,21)
InChIKeyCVKPDEPWFIEPQL-UHFFFAOYSA-N
XLogP2.67
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-ethoxyanilino)-2-oxoethyl] 3-cyanobenzoate
CID 2626294
3-O-[2-(4-fluoroanilino)-2-oxoethyl] 1-O-methyl benzene-1,3-dicarboxylate
CID 46860643
[2-(4-ethoxyanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7558714
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 3-bromobenzoate
CID 7663305
[2-(4-ethoxyanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 649387
[2-(4-ethoxyanilino)-2-oxoethyl] 4-propoxybenzoate
CID 7211928
3-O-[2-(3,4-dimethylanilino)-2-oxoethyl] 1-O-methyl benzene-1,3-dicarboxylate
CID 46860616
[2-(4-chloroanilino)-2-oxoethyl] 4-ethoxybenzoate
CID 7574746
3-O-[2-(2-ethoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,3-dicarboxylate
CID 46860631
methyl 3-[[2-(4-ethoxyphenyl)acetyl]amino]benzoate
CID 17414832
[2-(4-ethoxyanilino)-2-oxoethyl] 4-amino-3-nitrobenzoate
CID 7781677
[2-(4-methoxyanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582238

Frequently Asked Questions

What is the IUPAC name of 3-O-[2-(4-ethoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,3-dicarboxylate?
The IUPAC name of 3-O-[2-(4-ethoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,3-dicarboxylate (CID 46860632) is 3-O-[2-(4-ethoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,3-dicarboxylate.
What is the SMILES notation for 3-O-[2-(4-ethoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,3-dicarboxylate?
The canonical SMILES for 3-O-[2-(4-ethoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,3-dicarboxylate is CCOc1ccc(NC(=O)COC(=O)c2cccc(C(=O)OC)c2)cc1.
What is the InChIKey of 3-O-[2-(4-ethoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,3-dicarboxylate?
The InChIKey is CVKPDEPWFIEPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO6/c1-3-25-16-9-7-15(8-10-16)20-17(21)12-26-19(23)14-6-4-5-13(11-14)18(22)24-2/h4-11H,3,12H2,1-2H3,(H,20,21).
What are the key properties of 3-O-[2-(4-ethoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,3-dicarboxylate?
3-O-[2-(4-ethoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,3-dicarboxylate has a molecular weight of 357.36 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-O-[2-(4-ethoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,3-dicarboxylate is sourced from PubChem (CID 46860632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).