[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate

C13H16N2O5 — CID 9201254

IUPAC[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)NCC(N)=O)cc1
InChIInChI=1S/C13H16N2O5/c1-19-10-4-2-9(3-5-10)6-13(18)20-8-12(17)15-7-11(14)16/h2-5H,6-8H2,1H3,(H2,14,16)(H,15,17)
InChIKeyYCPKBHNUQFFUBX-UHFFFAOYSA-N
MW280.28 g/mol
LogP-0.62
Rot. Bonds7

About [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate

[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate (PubChem CID 9201254) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Name[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
PubChem CID9201254
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)NCC(N)=O)cc1
InChIInChI=1S/C13H16N2O5/c1-19-10-4-2-9(3-5-10)6-13(18)20-8-12(17)15-7-11(14)16/h2-5H,6-8H2,1H3,(H2,14,16)(H,15,17)
InChIKeyYCPKBHNUQFFUBX-UHFFFAOYSA-N
XLogP-0.62
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2556389
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 7826702
methyl 2-[[2-(4-methoxyphenyl)acetyl]amino]acetate
CID 3423294
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 40692952
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 9201290
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608709
N-(2-amino-2-sulfanylideneethyl)-2-(4-methoxyphenyl)acetamide
CID 61127076
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4-methoxyphenyl)acetate
CID 2519882
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(4-methoxyphenyl)acetate
CID 7705365
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2556286
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2556336
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 2514803

Frequently Asked Questions

What is the IUPAC name of [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
The IUPAC name of [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate (CID 9201254) is [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate.
What is the SMILES notation for [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
The canonical SMILES for [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate is COc1ccc(CC(=O)OCC(=O)NCC(N)=O)cc1.
What is the InChIKey of [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
The InChIKey is YCPKBHNUQFFUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-19-10-4-2-9(3-5-10)6-13(18)20-8-12(17)15-7-11(14)16/h2-5H,6-8H2,1H3,(H2,14,16)(H,15,17).
What are the key properties of [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate has a molecular weight of 280.28 g/mol, XLogP of -0.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 9201254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).