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

C19H19NO6 — CID 2337012

IUPAC[2-(3-acetylanilino)-2-oxoethyl] 3,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)Nc2cccc(C(C)=O)c2)cc1OC
InChIInChI=1S/C19H19NO6/c1-12(21)13-5-4-6-15(9-13)20-18(22)11-26-19(23)14-7-8-16(24-2)17(10-14)25-3/h4-10H,11H2,1-3H3,(H,20,22)
InChIKeyWWFAPKOIEQBXHN-UHFFFAOYSA-N
MW357.36 g/mol
LogP2.70
Rot. Bonds7

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

[2-(3-acetylanilino)-2-oxoethyl] 3,4-dimethoxybenzoate (PubChem CID 2337012) has the molecular formula C19H19NO6 and a molecular weight of 357.36 g/mol. Its IUPAC name is [2-(3-acetylanilino)-2-oxoethyl] 3,4-dimethoxybenzoate.

Molecular Properties

Compound Name[2-(3-acetylanilino)-2-oxoethyl] 3,4-dimethoxybenzoate
PubChem CID2337012
Molecular FormulaC19H19NO6
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC Name[2-(3-acetylanilino)-2-oxoethyl] 3,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)Nc2cccc(C(C)=O)c2)cc1OC
InChIInChI=1S/C19H19NO6/c1-12(21)13-5-4-6-15(9-13)20-18(22)11-26-19(23)14-7-8-16(24-2)17(10-14)25-3/h4-10H,11H2,1-3H3,(H,20,22)
InChIKeyWWFAPKOIEQBXHN-UHFFFAOYSA-N
XLogP2.70
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,5-Trimethoxybenzanilide
CID 305103
N-(3-acetylphenyl)-3,4,5-trimethoxybenzamide
CID 692750
(3E)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-1H-indol-2-one
CID 947879
N-(3-acetylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2788379
N-(3-acetylphenyl)-3,4-dimethoxybenzamide
CID 2171051
Methyl 4-[(3,4,5-trimethoxybenzoyl)amino]benzoate
CID 364704
Acetamide, 2-(4-acetylphenoxy)-N-phenyl-
CID 204987
3,4,5-Trimethoxy-N-(2-methoxyphenyl)benzamide
CID 199280
Ethyl 3-[(1,3-benzodioxol-5-ylcarbonyl)amino]benzoate
CID 670756
N-(3-ethylphenyl)-3,4,5-trimethoxybenzamide
CID 897201
N-(3-acetylphenyl)-1,3-benzodioxole-5-carboxamide
CID 2163239
2-[Ethyl(phenyl)amino]-2-oxoethyl 1,3-benzodioxole-5-carboxylate
CID 2343006

Frequently Asked Questions

What is the IUPAC name of [2-(3-acetylanilino)-2-oxoethyl] 3,4-dimethoxybenzoate?
The IUPAC name of [2-(3-acetylanilino)-2-oxoethyl] 3,4-dimethoxybenzoate (CID 2337012) is [2-(3-acetylanilino)-2-oxoethyl] 3,4-dimethoxybenzoate.
What is the SMILES notation for [2-(3-acetylanilino)-2-oxoethyl] 3,4-dimethoxybenzoate?
The canonical SMILES for [2-(3-acetylanilino)-2-oxoethyl] 3,4-dimethoxybenzoate is COc1ccc(C(=O)OCC(=O)Nc2cccc(C(C)=O)c2)cc1OC.
What is the InChIKey of [2-(3-acetylanilino)-2-oxoethyl] 3,4-dimethoxybenzoate?
The InChIKey is WWFAPKOIEQBXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO6/c1-12(21)13-5-4-6-15(9-13)20-18(22)11-26-19(23)14-7-8-16(24-2)17(10-14)25-3/h4-10H,11H2,1-3H3,(H,20,22).
What are the key properties of [2-(3-acetylanilino)-2-oxoethyl] 3,4-dimethoxybenzoate?
[2-(3-acetylanilino)-2-oxoethyl] 3,4-dimethoxybenzoate has a molecular weight of 357.36 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-acetylanilino)-2-oxoethyl] 3,4-dimethoxybenzoate is sourced from PubChem (CID 2337012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).