[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(3-methylphenoxy)acetate

C20H23NO4 — CID 8910812

IUPAC[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(3-methylphenoxy)acetate
SMILESCc1cccc(OCC(=O)OCC(=O)Nc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C20H23NO4/c1-14(2)16-7-9-17(10-8-16)21-19(22)12-25-20(23)13-24-18-6-4-5-15(3)11-18/h4-11,14H,12-13H2,1-3H3,(H,21,22)
InChIKeyDSUFIJSRTVGRIM-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.68
Rot. Bonds7

About [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(3-methylphenoxy)acetate

[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(3-methylphenoxy)acetate (PubChem CID 8910812) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(3-methylphenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(3-methylphenoxy)acetate
PubChem CID8910812
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(3-methylphenoxy)acetate
SMILESCc1cccc(OCC(=O)OCC(=O)Nc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C20H23NO4/c1-14(2)16-7-9-17(10-8-16)21-19(22)12-25-20(23)13-24-18-6-4-5-15(3)11-18/h4-11,14H,12-13H2,1-3H3,(H,21,22)
InChIKeyDSUFIJSRTVGRIM-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(3-methylphenyl)acetate
CID 71822824
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 8910451
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2-(3-methylphenoxy)acetate
CID 7853518
[2-(3-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803920
[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 8911027
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 7853550
2-[3-(1-hydroxyethyl)phenoxy]-N-(4-propan-2-ylphenyl)acetamide
CID 110884631
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 8598019
[2-(carbamoylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 7853444
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(2-chlorophenoxy)acetate
CID 2105203
4-[[2-(3-methylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 26157492
[2-(benzhydrylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 7853538

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(3-methylphenoxy)acetate?
The IUPAC name of [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(3-methylphenoxy)acetate (CID 8910812) is [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(3-methylphenoxy)acetate.
What is the SMILES notation for [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(3-methylphenoxy)acetate?
The canonical SMILES for [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(3-methylphenoxy)acetate is Cc1cccc(OCC(=O)OCC(=O)Nc2ccc(C(C)C)cc2)c1.
What is the InChIKey of [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(3-methylphenoxy)acetate?
The InChIKey is DSUFIJSRTVGRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-14(2)16-7-9-17(10-8-16)21-19(22)12-25-20(23)13-24-18-6-4-5-15(3)11-18/h4-11,14H,12-13H2,1-3H3,(H,21,22).
What are the key properties of [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(3-methylphenoxy)acetate?
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(3-methylphenoxy)acetate has a molecular weight of 341.41 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(3-methylphenoxy)acetate is sourced from PubChem (CID 8910812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).