[2-(4-methoxyanilino)-2-oxoethyl] 2,3-dimethoxybenzoate

C18H19NO6 — CID 2503626

IUPAC[2-(4-methoxyanilino)-2-oxoethyl] 2,3-dimethoxybenzoate
SMILESCOc1ccc(NC(=O)COC(=O)c2cccc(OC)c2OC)cc1
InChIInChI=1S/C18H19NO6/c1-22-13-9-7-12(8-10-13)19-16(20)11-25-18(21)14-5-4-6-15(23-2)17(14)24-3/h4-10H,11H2,1-3H3,(H,19,20)
InChIKeyPSQYQOHSLCHRGM-UHFFFAOYSA-N
MW345.35 g/mol
LogP2.51
Rot. Bonds7

About [2-(4-methoxyanilino)-2-oxoethyl] 2,3-dimethoxybenzoate

[2-(4-methoxyanilino)-2-oxoethyl] 2,3-dimethoxybenzoate (PubChem CID 2503626) has the molecular formula C18H19NO6 and a molecular weight of 345.35 g/mol. Its IUPAC name is [2-(4-methoxyanilino)-2-oxoethyl] 2,3-dimethoxybenzoate.

Molecular Properties

Compound Name[2-(4-methoxyanilino)-2-oxoethyl] 2,3-dimethoxybenzoate
PubChem CID2503626
Molecular FormulaC18H19NO6
Molecular Weight345.35 g/mol
Exact Mass345.12
IUPAC Name[2-(4-methoxyanilino)-2-oxoethyl] 2,3-dimethoxybenzoate
SMILESCOc1ccc(NC(=O)COC(=O)c2cccc(OC)c2OC)cc1
InChIInChI=1S/C18H19NO6/c1-22-13-9-7-12(8-10-13)19-16(20)11-25-18(21)14-5-4-6-15(23-2)17(14)24-3/h4-10H,11H2,1-3H3,(H,19,20)
InChIKeyPSQYQOHSLCHRGM-UHFFFAOYSA-N
XLogP2.51
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-methoxyanilino)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 2522313
[2-(4-carbamoylanilino)-2-oxoethyl] 2,3-dimethoxybenzoate
CID 2503755
[2-(4-methoxyanilino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18075546
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 2503619
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 8872111
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 2503716
2-O-[2-(4-methoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56505239
[2-(3-bromo-4-methylanilino)-2-oxoethyl] 2,3-dimethoxybenzoate
CID 7726160
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2,3-dimethoxybenzoate
CID 42962825
[3-(2,3-dimethoxybenzoyl)oxy-2-oxopropyl] 2,3-dimethoxybenzoate
CID 3910896
[2-(4-methoxyanilino)-2-oxoethyl] 2-methylsulfanylbenzoate
CID 2540210
[2-(3-methoxyanilino)-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7586721

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 2,3-dimethoxybenzoate?
The IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 2,3-dimethoxybenzoate (CID 2503626) is [2-(4-methoxyanilino)-2-oxoethyl] 2,3-dimethoxybenzoate.
What is the SMILES notation for [2-(4-methoxyanilino)-2-oxoethyl] 2,3-dimethoxybenzoate?
The canonical SMILES for [2-(4-methoxyanilino)-2-oxoethyl] 2,3-dimethoxybenzoate is COc1ccc(NC(=O)COC(=O)c2cccc(OC)c2OC)cc1.
What is the InChIKey of [2-(4-methoxyanilino)-2-oxoethyl] 2,3-dimethoxybenzoate?
The InChIKey is PSQYQOHSLCHRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO6/c1-22-13-9-7-12(8-10-13)19-16(20)11-25-18(21)14-5-4-6-15(23-2)17(14)24-3/h4-10H,11H2,1-3H3,(H,19,20).
What are the key properties of [2-(4-methoxyanilino)-2-oxoethyl] 2,3-dimethoxybenzoate?
[2-(4-methoxyanilino)-2-oxoethyl] 2,3-dimethoxybenzoate has a molecular weight of 345.35 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyanilino)-2-oxoethyl] 2,3-dimethoxybenzoate is sourced from PubChem (CID 2503626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).