methyl 3-methoxy-4-[2-oxo-2-(2-propoxyanilino)ethoxy]benzoate

C20H23NO6 — CID 24571020

IUPACmethyl 3-methoxy-4-[2-oxo-2-(2-propoxyanilino)ethoxy]benzoate
SMILESCCCOc1ccccc1NC(=O)COc1ccc(C(=O)OC)cc1OC
InChIInChI=1S/C20H23NO6/c1-4-11-26-16-8-6-5-7-15(16)21-19(22)13-27-17-10-9-14(20(23)25-3)12-18(17)24-2/h5-10,12H,4,11,13H2,1-3H3,(H,21,22)
InChIKeySOODNOSECJMCFI-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.29
Rot. Bonds9

About methyl 3-methoxy-4-[2-oxo-2-(2-propoxyanilino)ethoxy]benzoate

methyl 3-methoxy-4-[2-oxo-2-(2-propoxyanilino)ethoxy]benzoate (PubChem CID 24571020) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is methyl 3-methoxy-4-[2-oxo-2-(2-propoxyanilino)ethoxy]benzoate.

Molecular Properties

Compound Namemethyl 3-methoxy-4-[2-oxo-2-(2-propoxyanilino)ethoxy]benzoate
PubChem CID24571020
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC Namemethyl 3-methoxy-4-[2-oxo-2-(2-propoxyanilino)ethoxy]benzoate
SMILESCCCOc1ccccc1NC(=O)COc1ccc(C(=O)OC)cc1OC
InChIInChI=1S/C20H23NO6/c1-4-11-26-16-8-6-5-7-15(16)21-19(22)13-27-17-10-9-14(20(23)25-3)12-18(17)24-2/h5-10,12H,4,11,13H2,1-3H3,(H,21,22)
InChIKeySOODNOSECJMCFI-UHFFFAOYSA-N
XLogP3.29
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

butyl 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
CID 18289886
2-hydroxyethyl 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
CID 32697010
N-(4,5-dimethoxy-2-methylphenyl)-2-(2-propoxyphenoxy)acetamide
CID 7751061
[2-oxo-2-(propylamino)ethyl] 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
CID 3375002
2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]-N-(2-propoxyphenyl)acetamide
CID 24581970
4-butoxy-3-methoxy-N-(2-propoxyphenyl)benzamide
CID 26897955
methyl 3-methoxy-4-[2-(2-methylsulfonylanilino)-2-oxoethoxy]benzoate
CID 8728892
2-methylpropyl 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
CID 24518174
methyl 4-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethoxy]-3-methoxybenzoate
CID 8807995
[2-(diethylamino)-2-oxoethyl] 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
CID 25441337
2-(4-methoxyphenoxy)ethyl 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
CID 25441229
N-(2-ethoxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 3891399

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-4-[2-oxo-2-(2-propoxyanilino)ethoxy]benzoate?
The IUPAC name of methyl 3-methoxy-4-[2-oxo-2-(2-propoxyanilino)ethoxy]benzoate (CID 24571020) is methyl 3-methoxy-4-[2-oxo-2-(2-propoxyanilino)ethoxy]benzoate.
What is the SMILES notation for methyl 3-methoxy-4-[2-oxo-2-(2-propoxyanilino)ethoxy]benzoate?
The canonical SMILES for methyl 3-methoxy-4-[2-oxo-2-(2-propoxyanilino)ethoxy]benzoate is CCCOc1ccccc1NC(=O)COc1ccc(C(=O)OC)cc1OC.
What is the InChIKey of methyl 3-methoxy-4-[2-oxo-2-(2-propoxyanilino)ethoxy]benzoate?
The InChIKey is SOODNOSECJMCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO6/c1-4-11-26-16-8-6-5-7-15(16)21-19(22)13-27-17-10-9-14(20(23)25-3)12-18(17)24-2/h5-10,12H,4,11,13H2,1-3H3,(H,21,22).
What are the key properties of methyl 3-methoxy-4-[2-oxo-2-(2-propoxyanilino)ethoxy]benzoate?
methyl 3-methoxy-4-[2-oxo-2-(2-propoxyanilino)ethoxy]benzoate has a molecular weight of 373.41 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-4-[2-oxo-2-(2-propoxyanilino)ethoxy]benzoate is sourced from PubChem (CID 24571020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).