[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-propan-2-yloxybenzoate

C17H18N2O6 — CID 7193351

IUPAC[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-propan-2-yloxybenzoate
SMILESCC(C)Oc1ccc(C(=O)OCC(=O)NNC(=O)c2ccco2)cc1
InChIInChI=1S/C17H18N2O6/c1-11(2)25-13-7-5-12(6-8-13)17(22)24-10-15(20)18-19-16(21)14-4-3-9-23-14/h3-9,11H,10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyFEXJSZPUJUWGIQ-UHFFFAOYSA-N
MW346.34 g/mol
LogP1.68
Rot. Bonds6

About [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-propan-2-yloxybenzoate

[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-propan-2-yloxybenzoate (PubChem CID 7193351) has the molecular formula C17H18N2O6 and a molecular weight of 346.34 g/mol. Its IUPAC name is [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-propan-2-yloxybenzoate.

Molecular Properties

Compound Name[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-propan-2-yloxybenzoate
PubChem CID7193351
Molecular FormulaC17H18N2O6
Molecular Weight346.34 g/mol
Exact Mass346.12
IUPAC Name[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-propan-2-yloxybenzoate
SMILESCC(C)Oc1ccc(C(=O)OCC(=O)NNC(=O)c2ccco2)cc1
InChIInChI=1S/C17H18N2O6/c1-11(2)25-13-7-5-12(6-8-13)17(22)24-10-15(20)18-19-16(21)14-4-3-9-23-14/h3-9,11H,10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyFEXJSZPUJUWGIQ-UHFFFAOYSA-N
XLogP1.68
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
CID 8909247
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-propoxybenzoate
CID 7211680
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] pyridine-4-carboxylate
CID 7783774
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7983687
[2-(methylamino)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
CID 8909209
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 3-fluorobenzoate
CID 8612232
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 3-phenoxybenzoate
CID 7985162
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 3,5-dichloro-4-methoxybenzoate
CID 9125715
benzyl 4-propan-2-yloxybenzoate
CID 70079883
N'-[2-(4-ethylphenoxy)acetyl]furan-2-carbohydrazide
CID 2369990
[2-(2-methoxyethylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate
CID 2603418
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-methoxybenzoate
CID 7811362

Frequently Asked Questions

What is the IUPAC name of [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-propan-2-yloxybenzoate?
The IUPAC name of [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-propan-2-yloxybenzoate (CID 7193351) is [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-propan-2-yloxybenzoate.
What is the SMILES notation for [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-propan-2-yloxybenzoate?
The canonical SMILES for [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-propan-2-yloxybenzoate is CC(C)Oc1ccc(C(=O)OCC(=O)NNC(=O)c2ccco2)cc1.
What is the InChIKey of [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-propan-2-yloxybenzoate?
The InChIKey is FEXJSZPUJUWGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O6/c1-11(2)25-13-7-5-12(6-8-13)17(22)24-10-15(20)18-19-16(21)14-4-3-9-23-14/h3-9,11H,10H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-propan-2-yloxybenzoate?
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-propan-2-yloxybenzoate has a molecular weight of 346.34 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-propan-2-yloxybenzoate is sourced from PubChem (CID 7193351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).