[2-(2-ethoxyanilino)-2-oxoethyl] 3-acetylbenzoate

C19H19NO5 — CID 46860693

IUPAC[2-(2-ethoxyanilino)-2-oxoethyl] 3-acetylbenzoate
SMILESCCOc1ccccc1NC(=O)COC(=O)c1cccc(C(C)=O)c1
InChIInChI=1S/C19H19NO5/c1-3-24-17-10-5-4-9-16(17)20-18(22)12-25-19(23)15-8-6-7-14(11-15)13(2)21/h4-11H,3,12H2,1-2H3,(H,20,22)
InChIKeyPLIJHWIWGGBMBX-UHFFFAOYSA-N
MW341.36 g/mol
LogP3.08
Rot. Bonds7

About [2-(2-ethoxyanilino)-2-oxoethyl] 3-acetylbenzoate

[2-(2-ethoxyanilino)-2-oxoethyl] 3-acetylbenzoate (PubChem CID 46860693) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is [2-(2-ethoxyanilino)-2-oxoethyl] 3-acetylbenzoate.

Molecular Properties

Compound Name[2-(2-ethoxyanilino)-2-oxoethyl] 3-acetylbenzoate
PubChem CID46860693
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name[2-(2-ethoxyanilino)-2-oxoethyl] 3-acetylbenzoate
SMILESCCOc1ccccc1NC(=O)COC(=O)c1cccc(C(C)=O)c1
InChIInChI=1S/C19H19NO5/c1-3-24-17-10-5-4-9-16(17)20-18(22)12-25-19(23)15-8-6-7-14(11-15)13(2)21/h4-11H,3,12H2,1-2H3,(H,20,22)
InChIKeyPLIJHWIWGGBMBX-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

3-O-[2-(2-ethoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,3-dicarboxylate
CID 46860631
[2-(2-methoxyanilino)-2-oxoethyl] 3-acetylbenzoate
CID 46860686
[2-(2-ethoxyanilino)-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate
CID 9385469
[2-(3-acetylanilino)-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561869
[2-(3-acetylanilino)-2-oxoethyl] 2-ethoxybenzoate
CID 8607199
[2-(2-ethoxyanilino)-2-oxoethyl] 3-(propylsulfamoyl)benzoate
CID 7537050
[2-(2-ethoxyanilino)-2-oxoethyl] 4-methylsulfanylbenzoate
CID 8507923
[2-(2-ethoxyanilino)-2-oxoethyl] thiophene-3-carboxylate
CID 17423219
(2-anilino-2-oxoethyl) 3-acetylbenzoate
CID 46860675
[2-(2-ethoxyanilino)-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 2616323
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3,4-diethoxybenzoate
CID 2397865
[2-(2,5-difluoroanilino)-2-oxoethyl] 3-acetylbenzoate
CID 46860704

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 3-acetylbenzoate?
The IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 3-acetylbenzoate (CID 46860693) is [2-(2-ethoxyanilino)-2-oxoethyl] 3-acetylbenzoate.
What is the SMILES notation for [2-(2-ethoxyanilino)-2-oxoethyl] 3-acetylbenzoate?
The canonical SMILES for [2-(2-ethoxyanilino)-2-oxoethyl] 3-acetylbenzoate is CCOc1ccccc1NC(=O)COC(=O)c1cccc(C(C)=O)c1.
What is the InChIKey of [2-(2-ethoxyanilino)-2-oxoethyl] 3-acetylbenzoate?
The InChIKey is PLIJHWIWGGBMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-3-24-17-10-5-4-9-16(17)20-18(22)12-25-19(23)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-(2-ethoxyanilino)-2-oxoethyl] 3-acetylbenzoate?
[2-(2-ethoxyanilino)-2-oxoethyl] 3-acetylbenzoate 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-(2-ethoxyanilino)-2-oxoethyl] 3-acetylbenzoate is sourced from PubChem (CID 46860693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).