[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate

C21H24N2O5 — CID 8608709

IUPAC[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate
SMILESCOc1ccc(CCNC(=O)COC(=O)Cc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C21H24N2O5/c1-15(24)23-18-7-3-17(4-8-18)13-21(26)28-14-20(25)22-12-11-16-5-9-19(27-2)10-6-16/h3-10H,11-14H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyQZIZWGXSVKPXMZ-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.10
Rot. Bonds9

About [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate

[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate (PubChem CID 8608709) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate.

Molecular Properties

Compound Name[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate
PubChem CID8608709
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate
SMILESCOc1ccc(CCNC(=O)COC(=O)Cc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C21H24N2O5/c1-15(24)23-18-7-3-17(4-8-18)13-21(26)28-14-20(25)22-12-11-16-5-9-19(27-2)10-6-16/h3-10H,11-14H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyQZIZWGXSVKPXMZ-UHFFFAOYSA-N
XLogP2.10
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8671570
2-(4-acetamidophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2461039
[2-oxo-2-(propylamino)ethyl] 2-(4-acetamidophenyl)acetate
CID 8610278
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 2514768
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2556389
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-thiophen-3-ylacetate
CID 9323185
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 8536176
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 40692952
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 9201293
N-[4-[2-[[N-[2-(4-methoxyphenyl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]phenyl]acetamide
CID 111171165
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 9201254
[2-(4-methoxyanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 8009828

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate?
The IUPAC name of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate (CID 8608709) is [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate.
What is the SMILES notation for [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate?
The canonical SMILES for [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate is COc1ccc(CCNC(=O)COC(=O)Cc2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate?
The InChIKey is QZIZWGXSVKPXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-15(24)23-18-7-3-17(4-8-18)13-21(26)28-14-20(25)22-12-11-16-5-9-19(27-2)10-6-16/h3-10H,11-14H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate?
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate has a molecular weight of 384.43 g/mol, XLogP of 2.10, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate is sourced from PubChem (CID 8608709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).