[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate

C20H16N2O7 — CID 7727824

IUPAC[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate
SMILESCC(=O)c1ccc(-c2ccc(C(=O)OCC(=O)NNC(=O)c3ccco3)o2)cc1
InChIInChI=1S/C20H16N2O7/c1-12(23)13-4-6-14(7-5-13)15-8-9-17(29-15)20(26)28-11-18(24)21-22-19(25)16-3-2-10-27-16/h2-10H,11H2,1H3,(H,21,24)(H,22,25)
InChIKeyKOJGYXWXAUAEHU-UHFFFAOYSA-N
MW396.36 g/mol
LogP2.36
Rot. Bonds6

About [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate

[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate (PubChem CID 7727824) has the molecular formula C20H16N2O7 and a molecular weight of 396.36 g/mol. Its IUPAC name is [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate.

Molecular Properties

Compound Name[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate
PubChem CID7727824
Molecular FormulaC20H16N2O7
Molecular Weight396.36 g/mol
Exact Mass396.10
IUPAC Name[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate
SMILESCC(=O)c1ccc(-c2ccc(C(=O)OCC(=O)NNC(=O)c3ccco3)o2)cc1
InChIInChI=1S/C20H16N2O7/c1-12(23)13-4-6-14(7-5-13)15-8-9-17(29-15)20(26)28-11-18(24)21-22-19(25)16-3-2-10-27-16/h2-10H,11H2,1H3,(H,21,24)(H,22,25)
InChIKeyKOJGYXWXAUAEHU-UHFFFAOYSA-N
XLogP2.36
TPSA127.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.36
LogP ≤ 52.36
H-Bond Donors ≤ 52
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-(ethylamino)-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 18080567
[2-oxo-2-(pentan-3-ylamino)ethyl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 7727801
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 7727726
(4-methoxycarbonylphenyl)methyl 5-(4-acetylphenyl)furan-2-carboxylate
CID 7728035
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 7727719
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
CID 8909247
[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 18202196
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-propan-2-yloxybenzoate
CID 7193351
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] pyridine-4-carboxylate
CID 7783774
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 7727812
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-methoxybenzoate
CID 7811362
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-propoxybenzoate
CID 7211680

Frequently Asked Questions

What is the IUPAC name of [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate?
The IUPAC name of [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate (CID 7727824) is [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate.
What is the SMILES notation for [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate?
The canonical SMILES for [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate is CC(=O)c1ccc(-c2ccc(C(=O)OCC(=O)NNC(=O)c3ccco3)o2)cc1.
What is the InChIKey of [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate?
The InChIKey is KOJGYXWXAUAEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O7/c1-12(23)13-4-6-14(7-5-13)15-8-9-17(29-15)20(26)28-11-18(24)21-22-19(25)16-3-2-10-27-16/h2-10H,11H2,1H3,(H,21,24)(H,22,25).
What are the key properties of [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate?
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate has a molecular weight of 396.36 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 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] 5-(4-acetylphenyl)furan-2-carboxylate is sourced from PubChem (CID 7727824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).