[2-(4-ethoxyanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate

C20H23NO6 — CID 7558714

IUPAC[2-(4-ethoxyanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
SMILESCCOc1ccc(NC(=O)COC(=O)c2ccc(OC)c(OCC)c2)cc1
InChIInChI=1S/C20H23NO6/c1-4-25-16-9-7-15(8-10-16)21-19(22)13-27-20(23)14-6-11-17(24-3)18(12-14)26-5-2/h6-12H,4-5,13H2,1-3H3,(H,21,22)
InChIKeyYQNMKZYKDXULEC-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.29
Rot. Bonds9

About [2-(4-ethoxyanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate

[2-(4-ethoxyanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate (PubChem CID 7558714) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is [2-(4-ethoxyanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate.

Molecular Properties

Compound Name[2-(4-ethoxyanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
PubChem CID7558714
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC Name[2-(4-ethoxyanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
SMILESCCOc1ccc(NC(=O)COC(=O)c2ccc(OC)c(OCC)c2)cc1
InChIInChI=1S/C20H23NO6/c1-4-25-16-9-7-15(8-10-16)21-19(22)13-27-20(23)14-6-11-17(24-3)18(12-14)26-5-2/h6-12H,4-5,13H2,1-3H3,(H,21,22)
InChIKeyYQNMKZYKDXULEC-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

Analyze [2-(4-ethoxyanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate with MolForge

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Related Compounds

[2-(4-ethoxyanilino)-2-oxoethyl] 4-(difluoromethoxy)-3-ethoxybenzoate
CID 7712285
dimethyl 5-[[2-(3-ethoxy-4-methoxybenzoyl)oxyacetyl]amino]benzene-1,3-dicarboxylate
CID 29458941
[2-(4-nitroanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7903841
[2-(4-fluoroanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 2501342
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7630502
[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 4-ethoxy-3-methoxybenzoate
CID 7416061
3-O-[2-(4-ethoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,3-dicarboxylate
CID 46860632
[2-(3,4-diethoxyanilino)-2-oxoethyl] 4-(carbamoylamino)benzoate
CID 30028812
[2-(4-ethoxyanilino)-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate
CID 7654549
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678401
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561915
[2-(4-methoxyanilino)-2-oxoethyl] 3-amino-4-methoxybenzoate
CID 53270028

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate?
The IUPAC name of [2-(4-ethoxyanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate (CID 7558714) is [2-(4-ethoxyanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate.
What is the SMILES notation for [2-(4-ethoxyanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate?
The canonical SMILES for [2-(4-ethoxyanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate is CCOc1ccc(NC(=O)COC(=O)c2ccc(OC)c(OCC)c2)cc1.
What is the InChIKey of [2-(4-ethoxyanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate?
The InChIKey is YQNMKZYKDXULEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO6/c1-4-25-16-9-7-15(8-10-16)21-19(22)13-27-20(23)14-6-11-17(24-3)18(12-14)26-5-2/h6-12H,4-5,13H2,1-3H3,(H,21,22).
What are the key properties of [2-(4-ethoxyanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate?
[2-(4-ethoxyanilino)-2-oxoethyl] 3-ethoxy-4-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-(4-ethoxyanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate is sourced from PubChem (CID 7558714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).