[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate

C19H19N3O8 — CID 24818385

IUPAC[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
SMILESCCOc1ccccc1OCC(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H19N3O8/c1-2-28-15-5-3-4-6-16(15)29-12-18(24)30-11-17(23)20-21-19(25)13-7-9-14(10-8-13)22(26)27/h3-10H,2,11-12H2,1H3,(H,20,23)(H,21,25)
InChIKeyPKQYOGURWFCFMZ-UHFFFAOYSA-N
MW417.37 g/mol
LogP1.38
Rot. Bonds9

About [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate

[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate (PubChem CID 24818385) has the molecular formula C19H19N3O8 and a molecular weight of 417.37 g/mol. Its IUPAC name is [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate.

Molecular Properties

Compound Name[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
PubChem CID24818385
Molecular FormulaC19H19N3O8
Molecular Weight417.37 g/mol
Exact Mass417.12
IUPAC Name[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
SMILESCCOc1ccccc1OCC(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H19N3O8/c1-2-28-15-5-3-4-6-16(15)29-12-18(24)30-11-17(23)20-21-19(25)13-7-9-14(10-8-13)22(26)27/h3-10H,2,11-12H2,1H3,(H,20,23)(H,21,25)
InChIKeyPKQYOGURWFCFMZ-UHFFFAOYSA-N
XLogP1.38
TPSA146.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.37
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate?
The IUPAC name of [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate (CID 24818385) is [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate.
What is the SMILES notation for [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate?
The canonical SMILES for [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate is CCOc1ccccc1OCC(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate?
The InChIKey is PKQYOGURWFCFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O8/c1-2-28-15-5-3-4-6-16(15)29-12-18(24)30-11-17(23)20-21-19(25)13-7-9-14(10-8-13)22(26)27/h3-10H,2,11-12H2,1H3,(H,20,23)(H,21,25).
What are the key properties of [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate?
[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate has a molecular weight of 417.37 g/mol, XLogP of 1.38, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate is sourced from PubChem (CID 24818385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).