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

C19H21NO4 — CID 8606058

IUPAC[2-(3-ethylanilino)-2-oxoethyl] 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)OCC(=O)Nc1cccc(CC)c1
InChIInChI=1S/C19H21NO4/c1-3-14-8-7-9-15(12-14)20-18(21)13-24-19(22)16-10-5-6-11-17(16)23-4-2/h5-12H,3-4,13H2,1-2H3,(H,20,21)
InChIKeyPXCQWEUZQKICEX-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.44
Rot. Bonds7

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

[2-(3-ethylanilino)-2-oxoethyl] 2-ethoxybenzoate (PubChem CID 8606058) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is [2-(3-ethylanilino)-2-oxoethyl] 2-ethoxybenzoate.

Molecular Properties

Compound Name[2-(3-ethylanilino)-2-oxoethyl] 2-ethoxybenzoate
PubChem CID8606058
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name[2-(3-ethylanilino)-2-oxoethyl] 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)OCC(=O)Nc1cccc(CC)c1
InChIInChI=1S/C19H21NO4/c1-3-14-8-7-9-15(12-14)20-18(21)13-24-19(22)16-10-5-6-11-17(16)23-4-2/h5-12H,3-4,13H2,1-2H3,(H,20,21)
InChIKeyPXCQWEUZQKICEX-UHFFFAOYSA-N
XLogP3.44
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(3-ethylanilino)-2-oxoethyl] 2-ethoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(3-acetylanilino)-2-oxoethyl] 2-ethoxybenzoate
CID 8607199
[2-(3-ethylanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 7764296
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-methoxybenzoate
CID 7485668
N-(3-ethylphenyl)-2-(2-hydroxyphenoxy)acetamide
CID 78770107
[2-(3-ethylanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 71823037
[2-(3-ethylanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 7602317
[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 2-ethoxybenzoate
CID 8606761
[2-(2-ethoxyanilino)-2-oxoethyl] 2-phenylmethoxybenzoate
CID 2605845
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 7609685
[2-(3-methoxyanilino)-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate
CID 7771223
[2-(3-ethylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 8967009
[2-(3-ethylanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 2513141

Frequently Asked Questions

What is the IUPAC name of [2-(3-ethylanilino)-2-oxoethyl] 2-ethoxybenzoate?
The IUPAC name of [2-(3-ethylanilino)-2-oxoethyl] 2-ethoxybenzoate (CID 8606058) is [2-(3-ethylanilino)-2-oxoethyl] 2-ethoxybenzoate.
What is the SMILES notation for [2-(3-ethylanilino)-2-oxoethyl] 2-ethoxybenzoate?
The canonical SMILES for [2-(3-ethylanilino)-2-oxoethyl] 2-ethoxybenzoate is CCOc1ccccc1C(=O)OCC(=O)Nc1cccc(CC)c1.
What is the InChIKey of [2-(3-ethylanilino)-2-oxoethyl] 2-ethoxybenzoate?
The InChIKey is PXCQWEUZQKICEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-3-14-8-7-9-15(12-14)20-18(21)13-24-19(22)16-10-5-6-11-17(16)23-4-2/h5-12H,3-4,13H2,1-2H3,(H,20,21).
What are the key properties of [2-(3-ethylanilino)-2-oxoethyl] 2-ethoxybenzoate?
[2-(3-ethylanilino)-2-oxoethyl] 2-ethoxybenzoate has a molecular weight of 327.38 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-ethylanilino)-2-oxoethyl] 2-ethoxybenzoate is sourced from PubChem (CID 8606058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).