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

C23H26N2O6 — CID 55320213

IUPAC[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
SMILESCCCCOc1ccc(C(=O)NCC(=O)OCC(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C23H26N2O6/c1-3-4-13-30-20-11-7-18(8-12-20)23(29)24-14-22(28)31-15-21(27)17-5-9-19(10-6-17)25-16(2)26/h5-12H,3-4,13-15H2,1-2H3,(H,24,29)(H,25,26)
InChIKeyIWEZZVGWXQIGKF-UHFFFAOYSA-N
MW426.47 g/mol
LogP2.98
Rot. Bonds11

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

[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate (PubChem CID 55320213) has the molecular formula C23H26N2O6 and a molecular weight of 426.47 g/mol. Its IUPAC name is [2-(4-acetamidophenyl)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
PubChem CID55320213
Molecular FormulaC23H26N2O6
Molecular Weight426.47 g/mol
Exact Mass426.18
IUPAC Name[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
SMILESCCCCOc1ccc(C(=O)NCC(=O)OCC(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C23H26N2O6/c1-3-4-13-30-20-11-7-18(8-12-20)23(29)24-14-22(28)31-15-21(27)17-5-9-19(10-6-17)25-16(2)26/h5-12H,3-4,13-15H2,1-2H3,(H,24,29)(H,25,26)
InChIKeyIWEZZVGWXQIGKF-UHFFFAOYSA-N
XLogP2.98
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-(4-acetamidophenyl)-2-oxoethyl] 4-butoxybenzoate
CID 8863260
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 42963640
[2-(4-acetamidophenyl)-2-oxoethyl] 4-(4-acetylphenoxy)butanoate
CID 18231230
[2-(4-acetamidophenyl)-2-oxoethyl] 4-propoxybenzoate
CID 7211682
ethyl 2-[(4-pentoxybenzoyl)amino]acetate
CID 4935106
[2-(2-fluorophenyl)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 7885788
[2-(4-ethoxyanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884932
[2-(methylcarbamoylamino)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 7885614
[2-(4-fluorophenyl)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884853
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 7905904
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 27928920
[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 8662107

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidophenyl)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate?
The IUPAC name of [2-(4-acetamidophenyl)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate (CID 55320213) is [2-(4-acetamidophenyl)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-(4-acetamidophenyl)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate?
The canonical SMILES for [2-(4-acetamidophenyl)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate is CCCCOc1ccc(C(=O)NCC(=O)OCC(=O)c2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of [2-(4-acetamidophenyl)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate?
The InChIKey is IWEZZVGWXQIGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O6/c1-3-4-13-30-20-11-7-18(8-12-20)23(29)24-14-22(28)31-15-21(27)17-5-9-19(10-6-17)25-16(2)26/h5-12H,3-4,13-15H2,1-2H3,(H,24,29)(H,25,26).
What are the key properties of [2-(4-acetamidophenyl)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate?
[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate has a molecular weight of 426.47 g/mol, XLogP of 2.98, 11 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-[(4-butoxybenzoyl)amino]acetate is sourced from PubChem (CID 55320213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).