[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-methoxybenzoate

C20H23NO6 — CID 7485668

IUPAC[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-methoxybenzoate
SMILESCCOc1ccc(NC(=O)COC(=O)c2ccccc2OC)cc1OCC
InChIInChI=1S/C20H23NO6/c1-4-25-17-11-10-14(12-18(17)26-5-2)21-19(22)13-27-20(23)15-8-6-7-9-16(15)24-3/h6-12H,4-5,13H2,1-3H3,(H,21,22)
InChIKeyHOUXVGJLUUPIAJ-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.29
Rot. Bonds9

About [2-(3,4-diethoxyanilino)-2-oxoethyl] 2-methoxybenzoate

[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-methoxybenzoate (PubChem CID 7485668) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is [2-(3,4-diethoxyanilino)-2-oxoethyl] 2-methoxybenzoate.

Molecular Properties

Compound Name[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-methoxybenzoate
PubChem CID7485668
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC Name[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-methoxybenzoate
SMILESCCOc1ccc(NC(=O)COC(=O)c2ccccc2OC)cc1OCC
InChIInChI=1S/C20H23NO6/c1-4-25-17-11-10-14(12-18(17)26-5-2)21-19(22)13-27-20(23)15-8-6-7-9-16(15)24-3/h6-12H,4-5,13H2,1-3H3,(H,21,22)
InChIKeyHOUXVGJLUUPIAJ-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

[2-(3,4-diethoxyanilino)-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7487592
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 7609685
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 71905011
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2,4-dimethylbenzoate
CID 7796100
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 8786352
[2-(3,4-diethoxyanilino)-2-oxoethyl] 4-ethoxy-5-methoxy-2-nitrobenzoate
CID 35484004
[2-(3-ethylanilino)-2-oxoethyl] 2-ethoxybenzoate
CID 8606058
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-methoxybenzoate
CID 2715032
[2-(3-acetylanilino)-2-oxoethyl] 2-ethoxybenzoate
CID 8607199
[2-(3,4-diethoxyanilino)-2-oxoethyl] naphthalene-2-carboxylate
CID 7698271
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561837
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-methoxybenzoate
CID 24684694

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-diethoxyanilino)-2-oxoethyl] 2-methoxybenzoate?
The IUPAC name of [2-(3,4-diethoxyanilino)-2-oxoethyl] 2-methoxybenzoate (CID 7485668) is [2-(3,4-diethoxyanilino)-2-oxoethyl] 2-methoxybenzoate.
What is the SMILES notation for [2-(3,4-diethoxyanilino)-2-oxoethyl] 2-methoxybenzoate?
The canonical SMILES for [2-(3,4-diethoxyanilino)-2-oxoethyl] 2-methoxybenzoate is CCOc1ccc(NC(=O)COC(=O)c2ccccc2OC)cc1OCC.
What is the InChIKey of [2-(3,4-diethoxyanilino)-2-oxoethyl] 2-methoxybenzoate?
The InChIKey is HOUXVGJLUUPIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO6/c1-4-25-17-11-10-14(12-18(17)26-5-2)21-19(22)13-27-20(23)15-8-6-7-9-16(15)24-3/h6-12H,4-5,13H2,1-3H3,(H,21,22).
What are the key properties of [2-(3,4-diethoxyanilino)-2-oxoethyl] 2-methoxybenzoate?
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-methoxybenzoate 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 [2-(3,4-diethoxyanilino)-2-oxoethyl] 2-methoxybenzoate is sourced from PubChem (CID 7485668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).