[2-(4-acetamidophenyl)-2-oxoethyl] 2-ethoxybenzoate

C19H19NO5 — CID 18075363

IUPAC[2-(4-acetamidophenyl)-2-oxoethyl] 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)OCC(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C19H19NO5/c1-3-24-18-7-5-4-6-16(18)19(23)25-12-17(22)14-8-10-15(11-9-14)20-13(2)21/h4-11H,3,12H2,1-2H3,(H,20,21)
InChIKeyFKFMPKKDPATDKL-UHFFFAOYSA-N
MW341.36 g/mol
LogP3.08
Rot. Bonds7

About [2-(4-acetamidophenyl)-2-oxoethyl] 2-ethoxybenzoate

[2-(4-acetamidophenyl)-2-oxoethyl] 2-ethoxybenzoate (PubChem CID 18075363) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is [2-(4-acetamidophenyl)-2-oxoethyl] 2-ethoxybenzoate.

Molecular Properties

Compound Name[2-(4-acetamidophenyl)-2-oxoethyl] 2-ethoxybenzoate
PubChem CID18075363
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name[2-(4-acetamidophenyl)-2-oxoethyl] 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)OCC(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C19H19NO5/c1-3-24-18-7-5-4-6-16(18)19(23)25-12-17(22)14-8-10-15(11-9-14)20-13(2)21/h4-11H,3,12H2,1-2H3,(H,20,21)
InChIKeyFKFMPKKDPATDKL-UHFFFAOYSA-N
XLogP3.08
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 8662107
[2-oxo-2-(4-phenylphenyl)ethyl] 2-ethoxybenzoate
CID 7758309
[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate
CID 7771214
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(2-amino-2-oxoethoxy)benzoate
CID 38909124
[2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 2-ethoxybenzoate
CID 7874648
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2-methoxybenzoate
CID 7560736
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-phenoxybenzoate
CID 7760680
[2-(3-acetylanilino)-2-oxoethyl] 2-ethoxybenzoate
CID 8607199
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-phenylbenzoate
CID 7229145
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate
CID 16556425
N-[4-[2-(4-ethoxyphenoxy)acetyl]phenyl]acetamide
CID 2560779

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidophenyl)-2-oxoethyl] 2-ethoxybenzoate?
The IUPAC name of [2-(4-acetamidophenyl)-2-oxoethyl] 2-ethoxybenzoate (CID 18075363) is [2-(4-acetamidophenyl)-2-oxoethyl] 2-ethoxybenzoate.
What is the SMILES notation for [2-(4-acetamidophenyl)-2-oxoethyl] 2-ethoxybenzoate?
The canonical SMILES for [2-(4-acetamidophenyl)-2-oxoethyl] 2-ethoxybenzoate is CCOc1ccccc1C(=O)OCC(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of [2-(4-acetamidophenyl)-2-oxoethyl] 2-ethoxybenzoate?
The InChIKey is FKFMPKKDPATDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-3-24-18-7-5-4-6-16(18)19(23)25-12-17(22)14-8-10-15(11-9-14)20-13(2)21/h4-11H,3,12H2,1-2H3,(H,20,21).
What are the key properties of [2-(4-acetamidophenyl)-2-oxoethyl] 2-ethoxybenzoate?
[2-(4-acetamidophenyl)-2-oxoethyl] 2-ethoxybenzoate has a molecular weight of 341.36 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidophenyl)-2-oxoethyl] 2-ethoxybenzoate is sourced from PubChem (CID 18075363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).