[2-(2,6-dimethylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate

C20H23NO3 — CID 7984752

IUPAC[2-(2,6-dimethylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate
SMILESCc1cccc(C)c1NC(=O)COC(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C20H23NO3/c1-14-9-8-10-15(2)18(14)21-17(22)13-24-19(23)20(3,4)16-11-6-5-7-12-16/h5-12H,13H2,1-4H3,(H,21,22)
InChIKeyPIJZWBQBKIUVNA-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.76
Rot. Bonds5

About [2-(2,6-dimethylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate

[2-(2,6-dimethylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate (PubChem CID 7984752) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is [2-(2,6-dimethylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate.

Molecular Properties

Compound Name[2-(2,6-dimethylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate
PubChem CID7984752
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name[2-(2,6-dimethylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate
SMILESCc1cccc(C)c1NC(=O)COC(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C20H23NO3/c1-14-9-8-10-15(2)18(14)21-17(22)13-24-19(23)20(3,4)16-11-6-5-7-12-16/h5-12H,13H2,1-4H3,(H,21,22)
InChIKeyPIJZWBQBKIUVNA-UHFFFAOYSA-N
XLogP3.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 7984536
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 7984759
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 17393371
[2-(2,6-dimethylanilino)-2-oxoethyl] acetate
CID 716418
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-methyl-2-phenylpropanoate
CID 7984597
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 7984751
sodium N-(2,6-dimethylphenyl)-2-methoxyacetamide
CID 19042259
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 8704893
ethyl 4-acetyl-5-methyl-2-[[2-(2-methyl-2-phenylpropanoyl)oxyacetyl]amino]furan-3-carboxylate
CID 8641258
[2-(2,6-dimethylanilino)-2-oxoethyl] 3-phenoxypropanoate
CID 7841558
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] acetate
CID 2109366
[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 7984732

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate?
The IUPAC name of [2-(2,6-dimethylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate (CID 7984752) is [2-(2,6-dimethylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate.
What is the SMILES notation for [2-(2,6-dimethylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate?
The canonical SMILES for [2-(2,6-dimethylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate is Cc1cccc(C)c1NC(=O)COC(=O)C(C)(C)c1ccccc1.
What is the InChIKey of [2-(2,6-dimethylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate?
The InChIKey is PIJZWBQBKIUVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)18(14)21-17(22)13-24-19(23)20(3,4)16-11-6-5-7-12-16/h5-12H,13H2,1-4H3,(H,21,22).
What are the key properties of [2-(2,6-dimethylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate?
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate has a molecular weight of 325.41 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate is sourced from PubChem (CID 7984752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).