[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-phenylacetate

C19H21NO3 — CID 24687369

IUPAC[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-phenylacetate
SMILESCCc1cccc(C)c1NC(=O)COC(=O)Cc1ccccc1
InChIInChI=1S/C19H21NO3/c1-3-16-11-7-8-14(2)19(16)20-17(21)13-23-18(22)12-15-9-5-4-6-10-15/h4-11H,3,12-13H2,1-2H3,(H,20,21)
InChIKeyVZBAULWRFIEHJJ-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.28
Rot. Bonds6

About [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-phenylacetate

[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-phenylacetate (PubChem CID 24687369) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-phenylacetate.

Molecular Properties

Compound Name[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-phenylacetate
PubChem CID24687369
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-phenylacetate
SMILESCCc1cccc(C)c1NC(=O)COC(=O)Cc1ccccc1
InChIInChI=1S/C19H21NO3/c1-3-16-11-7-8-14(2)19(16)20-17(21)13-23-18(22)12-15-9-5-4-6-10-15/h4-11H,3,12-13H2,1-2H3,(H,20,21)
InChIKeyVZBAULWRFIEHJJ-UHFFFAOYSA-N
XLogP3.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-phenylacetate?
The IUPAC name of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-phenylacetate (CID 24687369) is [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-phenylacetate.
What is the SMILES notation for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-phenylacetate?
The canonical SMILES for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-phenylacetate is CCc1cccc(C)c1NC(=O)COC(=O)Cc1ccccc1.
What is the InChIKey of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-phenylacetate?
The InChIKey is VZBAULWRFIEHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-3-16-11-7-8-14(2)19(16)20-17(21)13-23-18(22)12-15-9-5-4-6-10-15/h4-11H,3,12-13H2,1-2H3,(H,20,21).
What are the key properties of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-phenylacetate?
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-phenylacetate has a molecular weight of 311.38 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-phenylacetate is sourced from PubChem (CID 24687369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).