[2-(3-methylanilino)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate

C26H26N2O5 — CID 42981329

IUPAC[2-(3-methylanilino)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
SMILESCOc1ccc(CCC(=O)Nc2ccccc2C(=O)OCC(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C26H26N2O5/c1-18-6-5-7-20(16-18)27-25(30)17-33-26(31)22-8-3-4-9-23(22)28-24(29)15-12-19-10-13-21(32-2)14-11-19/h3-11,13-14,16H,12,15,17H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyXOZFPAUCSBGTBO-UHFFFAOYSA-N
MW446.50 g/mol
LogP4.37
Rot. Bonds9

About [2-(3-methylanilino)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate

[2-(3-methylanilino)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate (PubChem CID 42981329) has the molecular formula C26H26N2O5 and a molecular weight of 446.50 g/mol. Its IUPAC name is [2-(3-methylanilino)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate.

Molecular Properties

Compound Name[2-(3-methylanilino)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
PubChem CID42981329
Molecular FormulaC26H26N2O5
Molecular Weight446.50 g/mol
Exact Mass446.18
IUPAC Name[2-(3-methylanilino)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
SMILESCOc1ccc(CCC(=O)Nc2ccccc2C(=O)OCC(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C26H26N2O5/c1-18-6-5-7-20(16-18)27-25(30)17-33-26(31)22-8-3-4-9-23(22)28-24(29)15-12-19-10-13-21(32-2)14-11-19/h3-11,13-14,16H,12,15,17H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyXOZFPAUCSBGTBO-UHFFFAOYSA-N
XLogP4.37
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,4-dimethylanilino)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 2706279
(2-oxo-2-propan-2-yloxyethyl) 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 27042248
[2-(3-methylanilino)-2-oxoethyl] 2-benzamidobenzoate
CID 3493766
N-(3-methoxyphenyl)-2-[3-(3-methylphenyl)propanoylamino]benzamide
CID 55456678
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 42982114
[2-(3-methylanilino)-2-oxoethyl] 2-fluoro-4-methoxybenzoate
CID 7887503
[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-(3-methoxyanilino)-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate
CID 7771223
[2-(3-methylanilino)-2-oxoethyl] 2-chlorobenzoate
CID 2624326
N-(3-acetamidophenyl)-3-(4-methoxyphenyl)propanamide
CID 2671013
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 18104014

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylanilino)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate?
The IUPAC name of [2-(3-methylanilino)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate (CID 42981329) is [2-(3-methylanilino)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate.
What is the SMILES notation for [2-(3-methylanilino)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate?
The canonical SMILES for [2-(3-methylanilino)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate is COc1ccc(CCC(=O)Nc2ccccc2C(=O)OCC(=O)Nc2cccc(C)c2)cc1.
What is the InChIKey of [2-(3-methylanilino)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate?
The InChIKey is XOZFPAUCSBGTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O5/c1-18-6-5-7-20(16-18)27-25(30)17-33-26(31)22-8-3-4-9-23(22)28-24(29)15-12-19-10-13-21(32-2)14-11-19/h3-11,13-14,16H,12,15,17H2,1-2H3,(H,27,30)(H,28,29).
What are the key properties of [2-(3-methylanilino)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate?
[2-(3-methylanilino)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate has a molecular weight of 446.50 g/mol, XLogP of 4.37, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylanilino)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate is sourced from PubChem (CID 42981329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).