[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-propoxybenzoate

C17H18N2O6 — CID 7211680

IUPAC[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)OCC(=O)NNC(=O)c2ccco2)cc1
InChIInChI=1S/C17H18N2O6/c1-2-9-23-13-7-5-12(6-8-13)17(22)25-11-15(20)18-19-16(21)14-4-3-10-24-14/h3-8,10H,2,9,11H2,1H3,(H,18,20)(H,19,21)
InChIKeyBCVABBPQTRYSDX-UHFFFAOYSA-N
MW346.34 g/mol
LogP1.69
Rot. Bonds7

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

[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-propoxybenzoate (PubChem CID 7211680) 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-propoxybenzoate.

Molecular Properties

Compound Name[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-propoxybenzoate
PubChem CID7211680
Molecular FormulaC17H18N2O6
Molecular Weight346.34 g/mol
Exact Mass346.12
IUPAC Name[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)OCC(=O)NNC(=O)c2ccco2)cc1
InChIInChI=1S/C17H18N2O6/c1-2-9-23-13-7-5-12(6-8-13)17(22)25-11-15(20)18-19-16(21)14-4-3-10-24-14/h3-8,10H,2,9,11H2,1H3,(H,18,20)(H,19,21)
InChIKeyBCVABBPQTRYSDX-UHFFFAOYSA-N
XLogP1.69
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 51.69
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-propan-2-yloxybenzoate
CID 7193351
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
CID 8909247
N'-[2-(4-ethylphenoxy)acetyl]furan-2-carbohydrazide
CID 2369990
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] pyridine-4-carboxylate
CID 7783774
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884691
1-(furan-2-yl)-3-(4-propoxyphenyl)propane-1,3-dione
CID 43321190
N'-(2-phenylacetyl)-4-propoxybenzohydrazide
CID 4938615
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 3-fluorobenzoate
CID 8612232
[2-(4-butoxycarbonylanilino)-2-oxoethyl] furan-2-carboxylate
CID 2631611
[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
N'-(3-ethoxy-4-propoxybenzoyl)furan-2-carbohydrazide
CID 9476415

Frequently Asked Questions

What is the IUPAC name of [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-propoxybenzoate?
The IUPAC name of [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-propoxybenzoate (CID 7211680) is [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-propoxybenzoate.
What is the SMILES notation for [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-propoxybenzoate?
The canonical SMILES for [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-propoxybenzoate is CCCOc1ccc(C(=O)OCC(=O)NNC(=O)c2ccco2)cc1.
What is the InChIKey of [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-propoxybenzoate?
The InChIKey is BCVABBPQTRYSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O6/c1-2-9-23-13-7-5-12(6-8-13)17(22)25-11-15(20)18-19-16(21)14-4-3-10-24-14/h3-8,10H,2,9,11H2,1H3,(H,18,20)(H,19,21).
What are the key properties of [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-propoxybenzoate?
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-propoxybenzoate has a molecular weight of 346.34 g/mol, XLogP of 1.69, 7 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-propoxybenzoate is sourced from PubChem (CID 7211680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).