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

C20H22N2O6 — CID 7416051

IUPAC[2-(3-acetamidoanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
SMILESCCOc1ccc(C(=O)OCC(=O)Nc2cccc(NC(C)=O)c2)cc1OC
InChIInChI=1S/C20H22N2O6/c1-4-27-17-9-8-14(10-18(17)26-3)20(25)28-12-19(24)22-16-7-5-6-15(11-16)21-13(2)23/h5-11H,4,12H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyMVUKRXYLDONAOW-UHFFFAOYSA-N
MW386.40 g/mol
LogP2.85
Rot. Bonds8

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

[2-(3-acetamidoanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate (PubChem CID 7416051) has the molecular formula C20H22N2O6 and a molecular weight of 386.40 g/mol. Its IUPAC name is [2-(3-acetamidoanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate.

Molecular Properties

Compound Name[2-(3-acetamidoanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
PubChem CID7416051
Molecular FormulaC20H22N2O6
Molecular Weight386.40 g/mol
Exact Mass386.15
IUPAC Name[2-(3-acetamidoanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
SMILESCCOc1ccc(C(=O)OCC(=O)Nc2cccc(NC(C)=O)c2)cc1OC
InChIInChI=1S/C20H22N2O6/c1-4-27-17-9-8-14(10-18(17)26-3)20(25)28-12-19(24)22-16-7-5-6-15(11-16)21-13(2)23/h5-11H,4,12H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyMVUKRXYLDONAOW-UHFFFAOYSA-N
XLogP2.85
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3-acetylanilino)-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561869
N-(3-acetamidophenyl)-4-ethoxy-3-methoxybenzamide
CID 26103493
[2-(4-fluoroanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 2501342
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 3-ethoxy-4-methoxybenzoate
CID 7903710
[2-oxo-2-(3-sulfamoylanilino)ethyl] 3-ethoxy-4-methoxybenzoate
CID 7903326
[2-(3-acetylanilino)-2-oxoethyl] 4-butoxy-3-ethoxybenzoate
CID 7904218
[2-(3-chloroanilino)-2-oxoethyl] 3-methoxy-4-propoxybenzoate
CID 2600330
[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 4-ethoxy-3-methoxybenzoate
CID 7416061
[2-(3-acetamidoanilino)-2-oxoethyl] 3-chloro-5-ethoxy-4-hydroxybenzoate
CID 7358995
[2-(4-ethoxyanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7558714
dimethyl 5-[[2-(3-ethoxy-4-methoxybenzoyl)oxyacetyl]amino]benzene-1,3-dicarboxylate
CID 29458941
[2-(4-acetamidoanilino)-2-oxoethyl] 3-methoxy-4-propan-2-yloxybenzoate
CID 16501375

Frequently Asked Questions

What is the IUPAC name of [2-(3-acetamidoanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate?
The IUPAC name of [2-(3-acetamidoanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate (CID 7416051) is [2-(3-acetamidoanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate.
What is the SMILES notation for [2-(3-acetamidoanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate?
The canonical SMILES for [2-(3-acetamidoanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate is CCOc1ccc(C(=O)OCC(=O)Nc2cccc(NC(C)=O)c2)cc1OC.
What is the InChIKey of [2-(3-acetamidoanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate?
The InChIKey is MVUKRXYLDONAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6/c1-4-27-17-9-8-14(10-18(17)26-3)20(25)28-12-19(24)22-16-7-5-6-15(11-16)21-13(2)23/h5-11H,4,12H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of [2-(3-acetamidoanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate?
[2-(3-acetamidoanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate has a molecular weight of 386.40 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-acetamidoanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate is sourced from PubChem (CID 7416051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).