[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate

C22H20N2O4 — CID 8608400

IUPAC[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
SMILESCC(=O)Nc1ccc(CC(=O)OCC(=O)Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H20N2O4/c1-15(25)23-19-9-6-16(7-10-19)12-22(27)28-14-21(26)24-20-11-8-17-4-2-3-5-18(17)13-20/h2-11,13H,12,14H2,1H3,(H,23,25)(H,24,26)
InChIKeySMISNUOMNNLAAV-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.52
Rot. Bonds6

About [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate

[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate (PubChem CID 8608400) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate.

Molecular Properties

Compound Name[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
PubChem CID8608400
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
SMILESCC(=O)Nc1ccc(CC(=O)OCC(=O)Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H20N2O4/c1-15(25)23-19-9-6-16(7-10-19)12-22(27)28-14-21(26)24-20-11-8-17-4-2-3-5-18(17)13-20/h2-11,13H,12,14H2,1H3,(H,23,25)(H,24,26)
InChIKeySMISNUOMNNLAAV-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-oxo-2-(4-phenoxyanilino)ethyl] 2-(4-acetamidophenyl)acetate
CID 8609217
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 2573563
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608774
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-naphthalen-2-ylacetate
CID 7828719
N-(4-acetamidophenyl)-2-naphthalen-2-ylacetamide
CID 26499620
[2-(4-cyanoanilino)-2-oxoethyl] 2-naphthalen-2-ylacetate
CID 7828754
[2-(3-acetamidoanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
CID 8671933
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608733
[2-(4-acetamidoanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625330
[2-(3-methylsulfanylanilino)-2-oxoethyl] 2-naphthalen-2-ylacetate
CID 33279450
[2-(4-ethylanilino)-2-oxoethyl] 2-phenylacetate
CID 7874962
[2-(4-methoxyanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 8009828

Frequently Asked Questions

What is the IUPAC name of [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate?
The IUPAC name of [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate (CID 8608400) is [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate.
What is the SMILES notation for [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate?
The canonical SMILES for [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate is CC(=O)Nc1ccc(CC(=O)OCC(=O)Nc2ccc3ccccc3c2)cc1.
What is the InChIKey of [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate?
The InChIKey is SMISNUOMNNLAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-15(25)23-19-9-6-16(7-10-19)12-22(27)28-14-21(26)24-20-11-8-17-4-2-3-5-18(17)13-20/h2-11,13H,12,14H2,1H3,(H,23,25)(H,24,26).
What are the key properties of [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate?
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate 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-(naphthalen-2-ylamino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate is sourced from PubChem (CID 8608400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).