(2-amino-2-oxoethyl) 2-(4-acetamidophenyl)acetate

C12H14N2O4 — CID 8608168

IUPAC(2-amino-2-oxoethyl) 2-(4-acetamidophenyl)acetate
SMILESCC(=O)Nc1ccc(CC(=O)OCC(N)=O)cc1
InChIInChI=1S/C12H14N2O4/c1-8(15)14-10-4-2-9(3-5-10)6-12(17)18-7-11(13)16/h2-5H,6-7H2,1H3,(H2,13,16)(H,14,15)
InChIKeyGRUUKQMOGMCBOT-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.22
Rot. Bonds5

About (2-amino-2-oxoethyl) 2-(4-acetamidophenyl)acetate

(2-amino-2-oxoethyl) 2-(4-acetamidophenyl)acetate (PubChem CID 8608168) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 2-(4-acetamidophenyl)acetate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 2-(4-acetamidophenyl)acetate
PubChem CID8608168
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name(2-amino-2-oxoethyl) 2-(4-acetamidophenyl)acetate
SMILESCC(=O)Nc1ccc(CC(=O)OCC(N)=O)cc1
InChIInChI=1S/C12H14N2O4/c1-8(15)14-10-4-2-9(3-5-10)6-12(17)18-7-11(13)16/h2-5H,6-7H2,1H3,(H2,13,16)(H,14,15)
InChIKeyGRUUKQMOGMCBOT-UHFFFAOYSA-N
XLogP0.22
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(propylamino)ethyl] 2-(4-acetamidophenyl)acetate
CID 8610278
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(4-acetamidophenyl)acetate
CID 8609852
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608774
cyanomethyl 2-(4-acetamidophenyl)acetate
CID 8608142
[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(4-acetamidophenyl)acetate
CID 8609217
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8671570
[2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 2-(4-acetamidophenyl)acetate
CID 8611757
[2-(2-chloroanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608586
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608400
(4-phenylphenyl)methyl 2-(4-acetamidophenyl)acetate
CID 8611518
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608709
[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8611810

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 2-(4-acetamidophenyl)acetate?
The IUPAC name of (2-amino-2-oxoethyl) 2-(4-acetamidophenyl)acetate (CID 8608168) is (2-amino-2-oxoethyl) 2-(4-acetamidophenyl)acetate.
What is the SMILES notation for (2-amino-2-oxoethyl) 2-(4-acetamidophenyl)acetate?
The canonical SMILES for (2-amino-2-oxoethyl) 2-(4-acetamidophenyl)acetate is CC(=O)Nc1ccc(CC(=O)OCC(N)=O)cc1.
What is the InChIKey of (2-amino-2-oxoethyl) 2-(4-acetamidophenyl)acetate?
The InChIKey is GRUUKQMOGMCBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-8(15)14-10-4-2-9(3-5-10)6-12(17)18-7-11(13)16/h2-5H,6-7H2,1H3,(H2,13,16)(H,14,15).
What are the key properties of (2-amino-2-oxoethyl) 2-(4-acetamidophenyl)acetate?
(2-amino-2-oxoethyl) 2-(4-acetamidophenyl)acetate has a molecular weight of 250.25 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 2-(4-acetamidophenyl)acetate is sourced from PubChem (CID 8608168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).