[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 4-phenoxybenzoate

C24H22N2O6 — CID 55397543

IUPAC[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 4-phenoxybenzoate
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)COC(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C24H22N2O6/c1-16(27)25-18-10-13-22(30-2)21(14-18)26-23(28)15-31-24(29)17-8-11-20(12-9-17)32-19-6-4-3-5-7-19/h3-14H,15H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyHKHZLEBEHVKNKX-UHFFFAOYSA-N
MW434.45 g/mol
LogP4.24
Rot. Bonds8

About [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 4-phenoxybenzoate

[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 4-phenoxybenzoate (PubChem CID 55397543) has the molecular formula C24H22N2O6 and a molecular weight of 434.45 g/mol. Its IUPAC name is [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 4-phenoxybenzoate.

Molecular Properties

Compound Name[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 4-phenoxybenzoate
PubChem CID55397543
Molecular FormulaC24H22N2O6
Molecular Weight434.45 g/mol
Exact Mass434.15
IUPAC Name[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 4-phenoxybenzoate
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)COC(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C24H22N2O6/c1-16(27)25-18-10-13-22(30-2)21(14-18)26-23(28)15-31-24(29)17-8-11-20(12-9-17)32-19-6-4-3-5-7-19/h3-14H,15H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyHKHZLEBEHVKNKX-UHFFFAOYSA-N
XLogP4.24
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-phenoxybenzoate
CID 7838043
[2-oxo-2-(4-phenoxyanilino)ethyl] 4-phenoxybenzoate
CID 17259515
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 16538970
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate
CID 35210213
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-carbamoylbenzoate
CID 30799809
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 3-phenylpropanoate
CID 9016443
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 4-(5-methylpyrazol-1-yl)benzoate
CID 35309859
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 2-[(S)-methylsulfinyl]benzoate
CID 11927664
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] propanoate
CID 9015180
[2-oxo-2-(2-phenoxyanilino)ethyl] 3-amino-4-methoxybenzoate
CID 71863645
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 9201293
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 4-oxo-3-phenylphthalazine-1-carboxylate
CID 55398318

Frequently Asked Questions

What is the IUPAC name of [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 4-phenoxybenzoate?
The IUPAC name of [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 4-phenoxybenzoate (CID 55397543) is [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 4-phenoxybenzoate.
What is the SMILES notation for [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 4-phenoxybenzoate?
The canonical SMILES for [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 4-phenoxybenzoate is COc1ccc(NC(C)=O)cc1NC(=O)COC(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 4-phenoxybenzoate?
The InChIKey is HKHZLEBEHVKNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O6/c1-16(27)25-18-10-13-22(30-2)21(14-18)26-23(28)15-31-24(29)17-8-11-20(12-9-17)32-19-6-4-3-5-7-19/h3-14H,15H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 4-phenoxybenzoate?
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 4-phenoxybenzoate has a molecular weight of 434.45 g/mol, XLogP of 4.24, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 4-phenoxybenzoate is sourced from PubChem (CID 55397543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).