[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate

C16H16N2O5 — CID 8821296

IUPAC[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
SMILESCC(=O)NNC(=O)COC(=O)COc1ccc2ccccc2c1
InChIInChI=1S/C16H16N2O5/c1-11(19)17-18-15(20)9-23-16(21)10-22-14-7-6-12-4-2-3-5-13(12)8-14/h2-8H,9-10H2,1H3,(H,17,19)(H,18,20)
InChIKeyIFZACCJQVOBPRN-UHFFFAOYSA-N
MW316.31 g/mol
LogP0.93
Rot. Bonds5

About [2-(2-acetylhydrazinyl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate

[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate (PubChem CID 8821296) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is [2-(2-acetylhydrazinyl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate.

Molecular Properties

Compound Name[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
PubChem CID8821296
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
SMILESCC(=O)NNC(=O)COC(=O)COc1ccc2ccccc2c1
InChIInChI=1S/C16H16N2O5/c1-11(19)17-18-15(20)9-23-16(21)10-22-14-7-6-12-4-2-3-5-13(12)8-14/h2-8H,9-10H2,1H3,(H,17,19)(H,18,20)
InChIKeyIFZACCJQVOBPRN-UHFFFAOYSA-N
XLogP0.93
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(ethylcarbamoylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 2583176
[2-(2-methylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 7843327
[2-(benzylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 2365439
2-methoxy-N'-(2-naphthalen-2-yloxyacetyl)acetohydrazide
CID 3108616
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 2583275
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 8821336
[2-(4-tert-butylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 7843324
2-hydroxyethyl 2-naphthalen-2-yloxyacetate
CID 21297754
N-(2-acetamidoethyl)-2-naphthalen-2-yloxyacetamide
CID 7942082
2-bromoethyl 2-naphthalen-2-yloxyacetate
CID 22163309
N'-(2-naphthalen-2-yloxyacetyl)-2-(4-phenylphenoxy)acetohydrazide
CID 4512962
[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 9491672

Frequently Asked Questions

What is the IUPAC name of [2-(2-acetylhydrazinyl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate?
The IUPAC name of [2-(2-acetylhydrazinyl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate (CID 8821296) is [2-(2-acetylhydrazinyl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate.
What is the SMILES notation for [2-(2-acetylhydrazinyl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate?
The canonical SMILES for [2-(2-acetylhydrazinyl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate is CC(=O)NNC(=O)COC(=O)COc1ccc2ccccc2c1.
What is the InChIKey of [2-(2-acetylhydrazinyl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate?
The InChIKey is IFZACCJQVOBPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5/c1-11(19)17-18-15(20)9-23-16(21)10-22-14-7-6-12-4-2-3-5-13(12)8-14/h2-8H,9-10H2,1H3,(H,17,19)(H,18,20).
What are the key properties of [2-(2-acetylhydrazinyl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate?
[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate has a molecular weight of 316.31 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-acetylhydrazinyl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate is sourced from PubChem (CID 8821296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).