[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2,4-dimethoxybenzoate

C20H23NO5 — CID 2505093

IUPAC[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)Nc2ccccc2C(C)C)c(OC)c1
InChIInChI=1S/C20H23NO5/c1-13(2)15-7-5-6-8-17(15)21-19(22)12-26-20(23)16-10-9-14(24-3)11-18(16)25-4/h5-11,13H,12H2,1-4H3,(H,21,22)
InChIKeyUIEWTUCOJXTXEP-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.62
Rot. Bonds7

About [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2,4-dimethoxybenzoate

[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2,4-dimethoxybenzoate (PubChem CID 2505093) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2,4-dimethoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2,4-dimethoxybenzoate
PubChem CID2505093
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)Nc2ccccc2C(C)C)c(OC)c1
InChIInChI=1S/C20H23NO5/c1-13(2)15-7-5-6-8-17(15)21-19(22)12-26-20(23)16-10-9-14(24-3)11-18(16)25-4/h5-11,13H,12H2,1-4H3,(H,21,22)
InChIKeyUIEWTUCOJXTXEP-UHFFFAOYSA-N
XLogP3.62
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2,4,5-trimethoxybenzoate
CID 2566413
(2-anilino-2-oxoethyl) 2,4-dimethoxybenzoate
CID 2409406
2-(2,4-dimethoxyanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 37479068
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8596368
dimethyl 2-[[2-(2,4-dimethoxybenzoyl)oxyacetyl]amino]benzene-1,4-dicarboxylate
CID 2505044
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2,4-dimethoxybenzoate
CID 2505113
[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-methoxybenzoate
CID 7485747
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 16538998
[2-(2,5-difluoroanilino)-2-oxoethyl] 2,4-dimethoxybenzoate
CID 2503995
[2-(2,5-dichloroanilino)-2-oxoethyl] 2,4-dimethoxybenzoate
CID 2505004
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 3-methoxy-4-propan-2-yloxybenzoate
CID 16501340
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2,4-dimethoxybenzoate
CID 2356553

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2,4-dimethoxybenzoate?
The IUPAC name of [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2,4-dimethoxybenzoate (CID 2505093) is [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2,4-dimethoxybenzoate.
What is the SMILES notation for [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2,4-dimethoxybenzoate?
The canonical SMILES for [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2,4-dimethoxybenzoate is COc1ccc(C(=O)OCC(=O)Nc2ccccc2C(C)C)c(OC)c1.
What is the InChIKey of [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2,4-dimethoxybenzoate?
The InChIKey is UIEWTUCOJXTXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-13(2)15-7-5-6-8-17(15)21-19(22)12-26-20(23)16-10-9-14(24-3)11-18(16)25-4/h5-11,13H,12H2,1-4H3,(H,21,22).
What are the key properties of [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2,4-dimethoxybenzoate?
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2,4-dimethoxybenzoate has a molecular weight of 357.41 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2,4-dimethoxybenzoate is sourced from PubChem (CID 2505093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).