[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate

C20H22N2O6 — CID 9201293

IUPAC[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)Nc2cc(NC(C)=O)ccc2OC)cc1
InChIInChI=1S/C20H22N2O6/c1-13(23)21-15-6-9-18(27-3)17(11-15)22-19(24)12-28-20(25)10-14-4-7-16(26-2)8-5-14/h4-9,11H,10,12H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyQWNYADRXCIDBPZ-UHFFFAOYSA-N
MW386.40 g/mol
LogP2.39
Rot. Bonds8

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

[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate (PubChem CID 9201293) has the molecular formula C20H22N2O6 and a molecular weight of 386.40 g/mol. Its IUPAC name is [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Name[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
PubChem CID9201293
Molecular FormulaC20H22N2O6
Molecular Weight386.40 g/mol
Exact Mass386.15
IUPAC Name[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)Nc2cc(NC(C)=O)ccc2OC)cc1
InChIInChI=1S/C20H22N2O6/c1-13(23)21-15-6-9-18(27-3)17(11-15)22-19(24)12-28-20(25)10-14-4-7-16(26-2)8-5-14/h4-9,11H,10,12H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyQWNYADRXCIDBPZ-UHFFFAOYSA-N
XLogP2.39
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] propanoate
CID 9015180
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 8613255
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 7705523
N-(5-acetamido-2-methoxyphenyl)-2-(4-methylphenyl)acetamide
CID 17432370
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 7750443
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 3-phenylpropanoate
CID 9016443
N-(5-acetamido-2-methoxyphenyl)-2-[4-(difluoromethoxy)phenyl]acetamide
CID 33178137
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 8536122
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8818470
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608709
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608400
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
CID 8671876

Frequently Asked Questions

What is the IUPAC name of [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
The IUPAC name of [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate (CID 9201293) is [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate.
What is the SMILES notation for [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
The canonical SMILES for [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate is COc1ccc(CC(=O)OCC(=O)Nc2cc(NC(C)=O)ccc2OC)cc1.
What is the InChIKey of [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
The InChIKey is QWNYADRXCIDBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6/c1-13(23)21-15-6-9-18(27-3)17(11-15)22-19(24)12-28-20(25)10-14-4-7-16(26-2)8-5-14/h4-9,11H,10,12H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate has a molecular weight of 386.40 g/mol, XLogP of 2.39, 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] 2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 9201293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).