[2-(3-acetylanilino)-2-oxoethyl] 2-ethoxybenzoate

C19H19NO5 — CID 8607199

IUPAC[2-(3-acetylanilino)-2-oxoethyl] 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)OCC(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C19H19NO5/c1-3-24-17-10-5-4-9-16(17)19(23)25-12-18(22)20-15-8-6-7-14(11-15)13(2)21/h4-11H,3,12H2,1-2H3,(H,20,22)
InChIKeyNQEGDXZPEKAQLM-UHFFFAOYSA-N
MW341.36 g/mol
LogP3.08
Rot. Bonds7

About [2-(3-acetylanilino)-2-oxoethyl] 2-ethoxybenzoate

[2-(3-acetylanilino)-2-oxoethyl] 2-ethoxybenzoate (PubChem CID 8607199) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is [2-(3-acetylanilino)-2-oxoethyl] 2-ethoxybenzoate.

Molecular Properties

Compound Name[2-(3-acetylanilino)-2-oxoethyl] 2-ethoxybenzoate
PubChem CID8607199
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name[2-(3-acetylanilino)-2-oxoethyl] 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)OCC(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C19H19NO5/c1-3-24-17-10-5-4-9-16(17)19(23)25-12-18(22)20-15-8-6-7-14(11-15)13(2)21/h4-11H,3,12H2,1-2H3,(H,20,22)
InChIKeyNQEGDXZPEKAQLM-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-(3-ethylanilino)-2-oxoethyl] 2-ethoxybenzoate
CID 8606058
[2-(3-acetylanilino)-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561869
N-(3-acetylphenyl)-2-ethoxybenzamide
CID 773754
[2-(2-ethoxyanilino)-2-oxoethyl] 3-acetylbenzoate
CID 46860693
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-ethoxybenzoate
CID 8606094
[2-(3-acetylanilino)-2-oxoethyl] 4-butoxy-3-ethoxybenzoate
CID 7904218
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-methoxybenzoate
CID 7485668
[2-(3-acetylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582150
N-[4-(3-acetylanilino)-4-oxobutyl]-2-ethoxybenzamide
CID 9078863
(2-anilino-2-oxoethyl) 3-acetylbenzoate
CID 46860675
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 71905011
[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 2-ethoxybenzoate
CID 8606761

Frequently Asked Questions

What is the IUPAC name of [2-(3-acetylanilino)-2-oxoethyl] 2-ethoxybenzoate?
The IUPAC name of [2-(3-acetylanilino)-2-oxoethyl] 2-ethoxybenzoate (CID 8607199) is [2-(3-acetylanilino)-2-oxoethyl] 2-ethoxybenzoate.
What is the SMILES notation for [2-(3-acetylanilino)-2-oxoethyl] 2-ethoxybenzoate?
The canonical SMILES for [2-(3-acetylanilino)-2-oxoethyl] 2-ethoxybenzoate is CCOc1ccccc1C(=O)OCC(=O)Nc1cccc(C(C)=O)c1.
What is the InChIKey of [2-(3-acetylanilino)-2-oxoethyl] 2-ethoxybenzoate?
The InChIKey is NQEGDXZPEKAQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-3-24-17-10-5-4-9-16(17)19(23)25-12-18(22)20-15-8-6-7-14(11-15)13(2)21/h4-11H,3,12H2,1-2H3,(H,20,22).
What are the key properties of [2-(3-acetylanilino)-2-oxoethyl] 2-ethoxybenzoate?
[2-(3-acetylanilino)-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-(3-acetylanilino)-2-oxoethyl] 2-ethoxybenzoate is sourced from PubChem (CID 8607199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).