[2-(2,6-dimethylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate

C20H23NO4 — CID 7871120

IUPAC[2-(2,6-dimethylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
SMILESCOc1ccccc1CCC(=O)OCC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C20H23NO4/c1-14-7-6-8-15(2)20(14)21-18(22)13-25-19(23)12-11-16-9-4-5-10-17(16)24-3/h4-10H,11-13H2,1-3H3,(H,21,22)
InChIKeyNXMUREMMFYIKAQ-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.43
Rot. Bonds7

About [2-(2,6-dimethylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate

[2-(2,6-dimethylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate (PubChem CID 7871120) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is [2-(2,6-dimethylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate.

Molecular Properties

Compound Name[2-(2,6-dimethylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
PubChem CID7871120
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name[2-(2,6-dimethylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
SMILESCOc1ccccc1CCC(=O)OCC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C20H23NO4/c1-14-7-6-8-15(2)20(14)21-18(22)13-25-19(23)12-11-16-9-4-5-10-17(16)24-3/h4-10H,11-13H2,1-3H3,(H,21,22)
InChIKeyNXMUREMMFYIKAQ-UHFFFAOYSA-N
XLogP3.43
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,4-dimethylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 7871146
[2-(2-chloroanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 7871123
[2-(3-bromoanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 7871124
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-(2-ethoxyphenyl)propanoate
CID 7524265
methyl 2-[[2-[3-(2-methoxyphenyl)propanoyloxy]acetyl]amino]benzoate
CID 7871156
[2-(3-methylsulfonylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 8955982
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 8704893
[2-(2-nitroanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 8524361
N-(2,6-diethylphenyl)-3-(2-methoxyphenyl)propanamide
CID 51143891
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625274
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 7871018
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 8524322

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate?
The IUPAC name of [2-(2,6-dimethylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate (CID 7871120) is [2-(2,6-dimethylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate.
What is the SMILES notation for [2-(2,6-dimethylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate?
The canonical SMILES for [2-(2,6-dimethylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate is COc1ccccc1CCC(=O)OCC(=O)Nc1c(C)cccc1C.
What is the InChIKey of [2-(2,6-dimethylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate?
The InChIKey is NXMUREMMFYIKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-14-7-6-8-15(2)20(14)21-18(22)13-25-19(23)12-11-16-9-4-5-10-17(16)24-3/h4-10H,11-13H2,1-3H3,(H,21,22).
What are the key properties of [2-(2,6-dimethylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate?
[2-(2,6-dimethylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate has a molecular weight of 341.41 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate is sourced from PubChem (CID 7871120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).