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

C20H23NO4 — CID 7841895

IUPAC[2-(3,4-dimethylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate
SMILESCc1ccc(NC(=O)COC(=O)CCOc2ccccc2C)cc1C
InChIInChI=1S/C20H23NO4/c1-14-8-9-17(12-16(14)3)21-19(22)13-25-20(23)10-11-24-18-7-5-4-6-15(18)2/h4-9,12H,10-11,13H2,1-3H3,(H,21,22)
InChIKeyJKQSWZOWMZXNHT-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.56
Rot. Bonds7

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

[2-(3,4-dimethylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate (PubChem CID 7841895) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is [2-(3,4-dimethylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate.

Molecular Properties

Compound Name[2-(3,4-dimethylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate
PubChem CID7841895
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name[2-(3,4-dimethylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate
SMILESCc1ccc(NC(=O)COC(=O)CCOc2ccccc2C)cc1C
InChIInChI=1S/C20H23NO4/c1-14-8-9-17(12-16(14)3)21-19(22)13-25-20(23)10-11-24-18-7-5-4-6-15(18)2/h4-9,12H,10-11,13H2,1-3H3,(H,21,22)
InChIKeyJKQSWZOWMZXNHT-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-anilino-2-oxoethyl) 3-(2-methylphenoxy)propanoate
CID 9115075
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate
CID 2388095
[2-(3-methylsulfanylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 31837897
[2-(3,4-dimethylanilino)-2-oxoethyl] 4-(3,4-dimethylanilino)-4-oxobutanoate
CID 17260934
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 7856028
[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-(2-methylphenoxy)propanoate
CID 46789070
[2-(2-acetylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 7841781
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 7767835
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-phenoxypropanoate
CID 7841565
4-(2-aminophenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 84553818
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 9139967
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 3-(2-methylphenoxy)propanoate
CID 7703650

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate?
The IUPAC name of [2-(3,4-dimethylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate (CID 7841895) is [2-(3,4-dimethylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate.
What is the SMILES notation for [2-(3,4-dimethylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate?
The canonical SMILES for [2-(3,4-dimethylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate is Cc1ccc(NC(=O)COC(=O)CCOc2ccccc2C)cc1C.
What is the InChIKey of [2-(3,4-dimethylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate?
The InChIKey is JKQSWZOWMZXNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-14-8-9-17(12-16(14)3)21-19(22)13-25-20(23)10-11-24-18-7-5-4-6-15(18)2/h4-9,12H,10-11,13H2,1-3H3,(H,21,22).
What are the key properties of [2-(3,4-dimethylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate?
[2-(3,4-dimethylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate has a molecular weight of 341.41 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate is sourced from PubChem (CID 7841895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).