[2-(2,4-dimethylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate

C20H23NO4 — CID 7871146

IUPAC[2-(2,4-dimethylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
SMILESCOc1ccccc1CCC(=O)OCC(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C20H23NO4/c1-14-8-10-17(15(2)12-14)21-19(22)13-25-20(23)11-9-16-6-4-5-7-18(16)24-3/h4-8,10,12H,9,11,13H2,1-3H3,(H,21,22)
InChIKeyYNRGANRDUZTCTP-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.43
Rot. Bonds7

About [2-(2,4-dimethylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate

[2-(2,4-dimethylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate (PubChem CID 7871146) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is [2-(2,4-dimethylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate.

Molecular Properties

Compound Name[2-(2,4-dimethylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
PubChem CID7871146
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name[2-(2,4-dimethylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
SMILESCOc1ccccc1CCC(=O)OCC(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C20H23NO4/c1-14-8-10-17(15(2)12-14)21-19(22)13-25-20(23)11-9-16-6-4-5-7-18(16)24-3/h4-8,10,12H,9,11,13H2,1-3H3,(H,21,22)
InChIKeyYNRGANRDUZTCTP-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-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 7578048
[2-(2,6-dimethylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 7871120
N-(2,4-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109025394
[2-(2-chloroanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 7871123
methyl 2-[[2-[3-(2-methoxyphenyl)propanoyloxy]acetyl]amino]benzoate
CID 7871156
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 7524394
[2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 8524359
[2-(2,4-dimethylanilino)-2-oxoethyl] 5-[4-(2-methoxyphenoxy)anilino]-5-oxopentanoate
CID 17388477
[2-(2-nitroanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 8524361
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-methoxyacetate
CID 7776162
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983228
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-(2-ethoxyphenyl)propanoate
CID 7524265

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate?
The IUPAC name of [2-(2,4-dimethylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate (CID 7871146) is [2-(2,4-dimethylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate.
What is the SMILES notation for [2-(2,4-dimethylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate?
The canonical SMILES for [2-(2,4-dimethylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate is COc1ccccc1CCC(=O)OCC(=O)Nc1ccc(C)cc1C.
What is the InChIKey of [2-(2,4-dimethylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate?
The InChIKey is YNRGANRDUZTCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-14-8-10-17(15(2)12-14)21-19(22)13-25-20(23)11-9-16-6-4-5-7-18(16)24-3/h4-8,10,12H,9,11,13H2,1-3H3,(H,21,22).
What are the key properties of [2-(2,4-dimethylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate?
[2-(2,4-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-(2,4-dimethylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate is sourced from PubChem (CID 7871146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).