(2-oxo-2-propan-2-yloxyethyl) 2-[3-(4-methoxyphenyl)propanoylamino]benzoate

C22H25NO6 — CID 27042248

IUPAC(2-oxo-2-propan-2-yloxyethyl) 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
SMILESCOc1ccc(CCC(=O)Nc2ccccc2C(=O)OCC(=O)OC(C)C)cc1
InChIInChI=1S/C22H25NO6/c1-15(2)29-21(25)14-28-22(26)18-6-4-5-7-19(18)23-20(24)13-10-16-8-11-17(27-3)12-9-16/h4-9,11-12,15H,10,13-14H2,1-3H3,(H,23,24)
InChIKeyCHBMLVAEKZGQTB-UHFFFAOYSA-N
MW399.44 g/mol
LogP3.37
Rot. Bonds9

About (2-oxo-2-propan-2-yloxyethyl) 2-[3-(4-methoxyphenyl)propanoylamino]benzoate

(2-oxo-2-propan-2-yloxyethyl) 2-[3-(4-methoxyphenyl)propanoylamino]benzoate (PubChem CID 27042248) has the molecular formula C22H25NO6 and a molecular weight of 399.44 g/mol. Its IUPAC name is (2-oxo-2-propan-2-yloxyethyl) 2-[3-(4-methoxyphenyl)propanoylamino]benzoate.

Molecular Properties

Compound Name(2-oxo-2-propan-2-yloxyethyl) 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
PubChem CID27042248
Molecular FormulaC22H25NO6
Molecular Weight399.44 g/mol
Exact Mass399.17
IUPAC Name(2-oxo-2-propan-2-yloxyethyl) 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
SMILESCOc1ccc(CCC(=O)Nc2ccccc2C(=O)OCC(=O)OC(C)C)cc1
InChIInChI=1S/C22H25NO6/c1-15(2)29-21(25)14-28-22(26)18-6-4-5-7-19(18)23-20(24)13-10-16-8-11-17(27-3)12-9-16/h4-9,11-12,15H,10,13-14H2,1-3H3,(H,23,24)
InChIKeyCHBMLVAEKZGQTB-UHFFFAOYSA-N
XLogP3.37
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2-oxo-2-propan-2-yloxyethyl) 2-[3-(4-methoxyphenyl)propanoylamino]benzoate with MolForge

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Related Compounds

[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 43033084
[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 42982115
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 2706279
[2-(3-methylanilino)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 42981329
ethyl 2-[3-[4-(1-propan-2-yloxyethoxy)phenyl]propanoylamino]benzoate
CID 163216114
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 42982114
2-(2-fluorophenoxy)ethyl 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 18285361
methyl 2-[3-(4-ethoxyphenyl)propanoylamino]benzoate
CID 19225981
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 31438555
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 18104014
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 30400735
[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 46675286

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-propan-2-yloxyethyl) 2-[3-(4-methoxyphenyl)propanoylamino]benzoate?
The IUPAC name of (2-oxo-2-propan-2-yloxyethyl) 2-[3-(4-methoxyphenyl)propanoylamino]benzoate (CID 27042248) is (2-oxo-2-propan-2-yloxyethyl) 2-[3-(4-methoxyphenyl)propanoylamino]benzoate.
What is the SMILES notation for (2-oxo-2-propan-2-yloxyethyl) 2-[3-(4-methoxyphenyl)propanoylamino]benzoate?
The canonical SMILES for (2-oxo-2-propan-2-yloxyethyl) 2-[3-(4-methoxyphenyl)propanoylamino]benzoate is COc1ccc(CCC(=O)Nc2ccccc2C(=O)OCC(=O)OC(C)C)cc1.
What is the InChIKey of (2-oxo-2-propan-2-yloxyethyl) 2-[3-(4-methoxyphenyl)propanoylamino]benzoate?
The InChIKey is CHBMLVAEKZGQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO6/c1-15(2)29-21(25)14-28-22(26)18-6-4-5-7-19(18)23-20(24)13-10-16-8-11-17(27-3)12-9-16/h4-9,11-12,15H,10,13-14H2,1-3H3,(H,23,24).
What are the key properties of (2-oxo-2-propan-2-yloxyethyl) 2-[3-(4-methoxyphenyl)propanoylamino]benzoate?
(2-oxo-2-propan-2-yloxyethyl) 2-[3-(4-methoxyphenyl)propanoylamino]benzoate has a molecular weight of 399.44 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-propan-2-yloxyethyl) 2-[3-(4-methoxyphenyl)propanoylamino]benzoate is sourced from PubChem (CID 27042248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).