[2-(4-acetamidoanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate

C22H20N2O4 — CID 2625330

IUPAC[2-(4-acetamidoanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C22H20N2O4/c1-15(25)23-18-9-11-19(12-10-18)24-21(26)14-28-22(27)13-17-7-4-6-16-5-2-3-8-20(16)17/h2-12H,13-14H2,1H3,(H,23,25)(H,24,26)
InChIKeyAEFQBMYRWXWTGX-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.52
Rot. Bonds6

About [2-(4-acetamidoanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate

[2-(4-acetamidoanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate (PubChem CID 2625330) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is [2-(4-acetamidoanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate.

Molecular Properties

Compound Name[2-(4-acetamidoanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
PubChem CID2625330
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name[2-(4-acetamidoanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C22H20N2O4/c1-15(25)23-18-9-11-19(12-10-18)24-21(26)14-28-22(27)13-17-7-4-6-16-5-2-3-8-20(16)17/h2-12H,13-14H2,1H3,(H,23,25)(H,24,26)
InChIKeyAEFQBMYRWXWTGX-UHFFFAOYSA-N
XLogP3.52
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-carbamoylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2353518
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625312
butyl 4-[[2-(2-naphthalen-1-ylacetyl)oxyacetyl]amino]benzoate
CID 7867111
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625274
[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl] 2-naphthalen-1-ylacetate
CID 3399745
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2338088
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608400
methyl 2-[[2-(2-naphthalen-1-ylacetyl)oxyacetyl]amino]benzoate
CID 2625317
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625138
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 7782738
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625176
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-naphthalen-1-ylacetate
CID 2089456

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate?
The IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate (CID 2625330) is [2-(4-acetamidoanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate.
What is the SMILES notation for [2-(4-acetamidoanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate?
The canonical SMILES for [2-(4-acetamidoanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate is CC(=O)Nc1ccc(NC(=O)COC(=O)Cc2cccc3ccccc23)cc1.
What is the InChIKey of [2-(4-acetamidoanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate?
The InChIKey is AEFQBMYRWXWTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-15(25)23-18-9-11-19(12-10-18)24-21(26)14-28-22(27)13-17-7-4-6-16-5-2-3-8-20(16)17/h2-12H,13-14H2,1H3,(H,23,25)(H,24,26).
What are the key properties of [2-(4-acetamidoanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate?
[2-(4-acetamidoanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate has a molecular weight of 376.41 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidoanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate is sourced from PubChem (CID 2625330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).