2-[2-(furan-2-carbonyl)hydrazinyl]-N-(2-methoxyphenyl)-2-oxoacetamide

C14H13N3O5 — CID 3127341

IUPAC2-[2-(furan-2-carbonyl)hydrazinyl]-N-(2-methoxyphenyl)-2-oxoacetamide
SMILESCOc1ccccc1NC(=O)C(=O)NNC(=O)c1ccco1
InChIInChI=1S/C14H13N3O5/c1-21-10-6-3-2-5-9(10)15-13(19)14(20)17-16-12(18)11-7-4-8-22-11/h2-8H,1H3,(H,15,19)(H,16,18)(H,17,20)
InChIKeyJYGHTHYHPARMJZ-UHFFFAOYSA-N
MW303.27 g/mol
LogP0.69
Rot. Bonds3

About 2-[2-(furan-2-carbonyl)hydrazinyl]-N-(2-methoxyphenyl)-2-oxoacetamide

2-[2-(furan-2-carbonyl)hydrazinyl]-N-(2-methoxyphenyl)-2-oxoacetamide (PubChem CID 3127341) has the molecular formula C14H13N3O5 and a molecular weight of 303.27 g/mol. Its IUPAC name is 2-[2-(furan-2-carbonyl)hydrazinyl]-N-(2-methoxyphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[2-(furan-2-carbonyl)hydrazinyl]-N-(2-methoxyphenyl)-2-oxoacetamide
PubChem CID3127341
Molecular FormulaC14H13N3O5
Molecular Weight303.27 g/mol
Exact Mass303.09
IUPAC Name2-[2-(furan-2-carbonyl)hydrazinyl]-N-(2-methoxyphenyl)-2-oxoacetamide
SMILESCOc1ccccc1NC(=O)C(=O)NNC(=O)c1ccco1
InChIInChI=1S/C14H13N3O5/c1-21-10-6-3-2-5-9(10)15-13(19)14(20)17-16-12(18)11-7-4-8-22-11/h2-8H,1H3,(H,15,19)(H,16,18)(H,17,20)
InChIKeyJYGHTHYHPARMJZ-UHFFFAOYSA-N
XLogP0.69
TPSA109.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_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-(furan-2-carbonyl)hydrazinyl]-N-(2-methoxyphenyl)-2-oxoacetamide?
The IUPAC name of 2-[2-(furan-2-carbonyl)hydrazinyl]-N-(2-methoxyphenyl)-2-oxoacetamide (CID 3127341) is 2-[2-(furan-2-carbonyl)hydrazinyl]-N-(2-methoxyphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-[2-(furan-2-carbonyl)hydrazinyl]-N-(2-methoxyphenyl)-2-oxoacetamide?
The canonical SMILES for 2-[2-(furan-2-carbonyl)hydrazinyl]-N-(2-methoxyphenyl)-2-oxoacetamide is COc1ccccc1NC(=O)C(=O)NNC(=O)c1ccco1.
What is the InChIKey of 2-[2-(furan-2-carbonyl)hydrazinyl]-N-(2-methoxyphenyl)-2-oxoacetamide?
The InChIKey is JYGHTHYHPARMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O5/c1-21-10-6-3-2-5-9(10)15-13(19)14(20)17-16-12(18)11-7-4-8-22-11/h2-8H,1H3,(H,15,19)(H,16,18)(H,17,20).
What are the key properties of 2-[2-(furan-2-carbonyl)hydrazinyl]-N-(2-methoxyphenyl)-2-oxoacetamide?
2-[2-(furan-2-carbonyl)hydrazinyl]-N-(2-methoxyphenyl)-2-oxoacetamide has a molecular weight of 303.27 g/mol, XLogP of 0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-carbonyl)hydrazinyl]-N-(2-methoxyphenyl)-2-oxoacetamide is sourced from PubChem (CID 3127341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).