[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate

C21H22N2O6 — CID 8662107

IUPAC[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccccc1C(=O)NCC(=O)OCC(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C21H22N2O6/c1-3-28-19-7-5-4-6-17(19)21(27)22-12-20(26)29-13-18(25)15-8-10-16(11-9-15)23-14(2)24/h4-11H,3,12-13H2,1-2H3,(H,22,27)(H,23,24)
InChIKeyIZRGSBKAGRLOIU-UHFFFAOYSA-N
MW398.42 g/mol
LogP2.20
Rot. Bonds9

About [2-(4-acetamidophenyl)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate

[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate (PubChem CID 8662107) has the molecular formula C21H22N2O6 and a molecular weight of 398.42 g/mol. Its IUPAC name is [2-(4-acetamidophenyl)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
PubChem CID8662107
Molecular FormulaC21H22N2O6
Molecular Weight398.42 g/mol
Exact Mass398.15
IUPAC Name[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccccc1C(=O)NCC(=O)OCC(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C21H22N2O6/c1-3-28-19-7-5-4-6-17(19)21(27)22-12-20(26)29-13-18(25)15-8-10-16(11-9-15)23-14(2)24/h4-11H,3,12-13H2,1-2H3,(H,22,27)(H,23,24)
InChIKeyIZRGSBKAGRLOIU-UHFFFAOYSA-N
XLogP2.20
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-methylsulfanylphenyl)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 31666708
[2-(4-acetamidophenyl)-2-oxoethyl] 2-ethoxybenzoate
CID 18075363
[2-(3-acetamidoanilino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807711
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7992387
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(2-methylbenzoyl)amino]acetate
CID 46795940
[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 55320213
[2-(4-acetamidophenyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 8662292
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 55366574
[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 2548014
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807725
[2-(methylcarbamoylamino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 2547953

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidophenyl)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate?
The IUPAC name of [2-(4-acetamidophenyl)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate (CID 8662107) is [2-(4-acetamidophenyl)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-(4-acetamidophenyl)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate?
The canonical SMILES for [2-(4-acetamidophenyl)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate is CCOc1ccccc1C(=O)NCC(=O)OCC(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of [2-(4-acetamidophenyl)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate?
The InChIKey is IZRGSBKAGRLOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O6/c1-3-28-19-7-5-4-6-17(19)21(27)22-12-20(26)29-13-18(25)15-8-10-16(11-9-15)23-14(2)24/h4-11H,3,12-13H2,1-2H3,(H,22,27)(H,23,24).
What are the key properties of [2-(4-acetamidophenyl)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate?
[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate has a molecular weight of 398.42 g/mol, XLogP of 2.20, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidophenyl)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate is sourced from PubChem (CID 8662107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).