[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate

C19H15N3O7 — CID 8909247

IUPAC[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
SMILESO=C(COC(=O)c1ccc(NC(=O)c2ccco2)cc1)NNC(=O)c1ccco1
InChIInChI=1S/C19H15N3O7/c23-16(21-22-18(25)15-4-2-10-28-15)11-29-19(26)12-5-7-13(8-6-12)20-17(24)14-3-1-9-27-14/h1-10H,11H2,(H,20,24)(H,21,23)(H,22,25)
InChIKeyJEGUJZDKGQMEAL-UHFFFAOYSA-N
MW397.34 g/mol
LogP1.74
Rot. Bonds6

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

[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate (PubChem CID 8909247) has the molecular formula C19H15N3O7 and a molecular weight of 397.34 g/mol. Its IUPAC name is [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate.

Molecular Properties

Compound Name[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
PubChem CID8909247
Molecular FormulaC19H15N3O7
Molecular Weight397.34 g/mol
Exact Mass397.09
IUPAC Name[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
SMILESO=C(COC(=O)c1ccc(NC(=O)c2ccco2)cc1)NNC(=O)c1ccco1
InChIInChI=1S/C19H15N3O7/c23-16(21-22-18(25)15-4-2-10-28-15)11-29-19(26)12-5-7-13(8-6-12)20-17(24)14-3-1-9-27-14/h1-10H,11H2,(H,20,24)(H,21,23)(H,22,25)
InChIKeyJEGUJZDKGQMEAL-UHFFFAOYSA-N
XLogP1.74
TPSA139.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.34
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[2-(methylamino)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
CID 8909209
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] pyridine-4-carboxylate
CID 7783774
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-propan-2-yloxybenzoate
CID 7193351
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-propoxybenzoate
CID 7211680
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
CID 18776833
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-(furan-2-carbonylamino)benzoate
CID 27764342
[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
CID 8909190
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-(furan-2-carbonylamino)benzoate
CID 8909155
2-(dimethylamino)ethyl 4-(furan-2-carbonylamino)benzoate
CID 17296731
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 3-fluorobenzoate
CID 8612232
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
heptyl 4-(furan-2-carbonylamino)benzoate
CID 565794

Frequently Asked Questions

What is the IUPAC name of [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate?
The IUPAC name of [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate (CID 8909247) is [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate.
What is the SMILES notation for [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate?
The canonical SMILES for [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate is O=C(COC(=O)c1ccc(NC(=O)c2ccco2)cc1)NNC(=O)c1ccco1.
What is the InChIKey of [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate?
The InChIKey is JEGUJZDKGQMEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O7/c23-16(21-22-18(25)15-4-2-10-28-15)11-29-19(26)12-5-7-13(8-6-12)20-17(24)14-3-1-9-27-14/h1-10H,11H2,(H,20,24)(H,21,23)(H,22,25).
What are the key properties of [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate?
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate has a molecular weight of 397.34 g/mol, XLogP of 1.74, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate is sourced from PubChem (CID 8909247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).