[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2,5-dimethoxybenzoate

C20H23NO5 — CID 7586714

IUPAC[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2,5-dimethoxybenzoate
SMILESCOc1ccc(OC)c(C(=O)OCC(=O)Nc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C20H23NO5/c1-13(2)14-5-7-15(8-6-14)21-19(22)12-26-20(23)17-11-16(24-3)9-10-18(17)25-4/h5-11,13H,12H2,1-4H3,(H,21,22)
InChIKeyABGVYCBEPNTKEY-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.62
Rot. Bonds7

About [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2,5-dimethoxybenzoate

[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2,5-dimethoxybenzoate (PubChem CID 7586714) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2,5-dimethoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2,5-dimethoxybenzoate
PubChem CID7586714
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2,5-dimethoxybenzoate
SMILESCOc1ccc(OC)c(C(=O)OCC(=O)Nc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C20H23NO5/c1-13(2)14-5-7-15(8-6-14)21-19(22)12-26-20(23)17-11-16(24-3)9-10-18(17)25-4/h5-11,13H,12H2,1-4H3,(H,21,22)
InChIKeyABGVYCBEPNTKEY-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-(4-propan-2-ylanilino)ethyl] 3-methoxynaphthalene-2-carboxylate
CID 7766908
[2-(3-methoxyanilino)-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7586721
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7586962
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7487592
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7561072
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-methoxy-4-methylsulfanylbenzoate
CID 8014279
2-(2-acetyl-5-methoxyphenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 2709111
[2-(4-acetamidoanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2615045
[2-(4-methoxyanilino)-2-oxoethyl] 2-bromo-5-methoxybenzoate
CID 2530910
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7488074
[2-(4-methoxyanilino)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 2522313
(2-anilino-2-oxoethyl) 2,4-dimethoxybenzoate
CID 2409406

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2,5-dimethoxybenzoate?
The IUPAC name of [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2,5-dimethoxybenzoate (CID 7586714) is [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2,5-dimethoxybenzoate.
What is the SMILES notation for [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2,5-dimethoxybenzoate?
The canonical SMILES for [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2,5-dimethoxybenzoate is COc1ccc(OC)c(C(=O)OCC(=O)Nc2ccc(C(C)C)cc2)c1.
What is the InChIKey of [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2,5-dimethoxybenzoate?
The InChIKey is ABGVYCBEPNTKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-13(2)14-5-7-15(8-6-14)21-19(22)12-26-20(23)17-11-16(24-3)9-10-18(17)25-4/h5-11,13H,12H2,1-4H3,(H,21,22).
What are the key properties of [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2,5-dimethoxybenzoate?
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2,5-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-(4-propan-2-ylanilino)ethyl] 2,5-dimethoxybenzoate is sourced from PubChem (CID 7586714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).