[2-(N-ethylanilino)-2-oxoethyl] naphthalene-2-carboxylate

C21H19NO3 — CID 2507754

IUPAC[2-(N-ethylanilino)-2-oxoethyl] naphthalene-2-carboxylate
SMILESCCN(C(=O)COC(=O)c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C21H19NO3/c1-2-22(19-10-4-3-5-11-19)20(23)15-25-21(24)18-13-12-16-8-6-7-9-17(16)14-18/h3-14H,2,15H2,1H3
InChIKeySAPHUWRDTYHBFK-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.05
Rot. Bonds5

About [2-(N-ethylanilino)-2-oxoethyl] naphthalene-2-carboxylate

[2-(N-ethylanilino)-2-oxoethyl] naphthalene-2-carboxylate (PubChem CID 2507754) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is [2-(N-ethylanilino)-2-oxoethyl] naphthalene-2-carboxylate.

Molecular Properties

Compound Name[2-(N-ethylanilino)-2-oxoethyl] naphthalene-2-carboxylate
PubChem CID2507754
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Name[2-(N-ethylanilino)-2-oxoethyl] naphthalene-2-carboxylate
SMILESCCN(C(=O)COC(=O)c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C21H19NO3/c1-2-22(19-10-4-3-5-11-19)20(23)15-25-21(24)18-13-12-16-8-6-7-9-17(16)14-18/h3-14H,2,15H2,1H3
InChIKeySAPHUWRDTYHBFK-UHFFFAOYSA-N
XLogP4.05
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(N-ethylanilino)-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 2568523
[2-(N-ethylanilino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 2588675
[2-(N-ethylanilino)-2-oxoethyl] 4-(phenylsulfamoyl)benzoate
CID 2512714
[2-(N-ethylanilino)-2-oxoethyl] 7-chloro-1,3-benzodioxole-5-carboxylate
CID 40767233
N-ethyl-2-[2-(N-ethylanilino)-2-oxoethoxy]-N-phenylacetamide
CID 52563694
2-(N-methylanilino)ethyl naphthalene-2-carboxylate
CID 70658913
[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl] naphthalene-2-carboxylate
CID 9018372
[2-(N-ethylanilino)-2-oxoethyl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate
CID 55320780
[2-(N-ethylanilino)-2-oxoethyl] 2-bromo-5-methoxybenzoate
CID 2531067
[2-oxo-2-(4-phenylphenyl)ethyl] naphthalene-2-carboxylate
CID 7698509
N-ethyl-2-(4-methoxyphenoxy)-N-phenylacetamide
CID 922695
2-[[amino(phenyl)methylidene]amino]oxy-N-ethyl-N-phenylacetamide
CID 2366807

Frequently Asked Questions

What is the IUPAC name of [2-(N-ethylanilino)-2-oxoethyl] naphthalene-2-carboxylate?
The IUPAC name of [2-(N-ethylanilino)-2-oxoethyl] naphthalene-2-carboxylate (CID 2507754) is [2-(N-ethylanilino)-2-oxoethyl] naphthalene-2-carboxylate.
What is the SMILES notation for [2-(N-ethylanilino)-2-oxoethyl] naphthalene-2-carboxylate?
The canonical SMILES for [2-(N-ethylanilino)-2-oxoethyl] naphthalene-2-carboxylate is CCN(C(=O)COC(=O)c1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of [2-(N-ethylanilino)-2-oxoethyl] naphthalene-2-carboxylate?
The InChIKey is SAPHUWRDTYHBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c1-2-22(19-10-4-3-5-11-19)20(23)15-25-21(24)18-13-12-16-8-6-7-9-17(16)14-18/h3-14H,2,15H2,1H3.
What are the key properties of [2-(N-ethylanilino)-2-oxoethyl] naphthalene-2-carboxylate?
[2-(N-ethylanilino)-2-oxoethyl] naphthalene-2-carboxylate has a molecular weight of 333.39 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-ethylanilino)-2-oxoethyl] naphthalene-2-carboxylate is sourced from PubChem (CID 2507754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).