[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate

C17H18N2O6 — CID 7981951

IUPAC[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
SMILESCc1cccc(OCC(=O)OCC(=O)NNC(=O)c2ccco2)c1C
InChIInChI=1S/C17H18N2O6/c1-11-5-3-6-13(12(11)2)24-10-16(21)25-9-15(20)18-19-17(22)14-7-4-8-23-14/h3-8H,9-10H2,1-2H3,(H,18,20)(H,19,22)
InChIKeyFTNYCYZLRMHDRT-UHFFFAOYSA-N
MW346.34 g/mol
LogP1.28
Rot. Bonds6

About [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate

[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate (PubChem CID 7981951) 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] 2-(2,3-dimethylphenoxy)acetate.

Molecular Properties

Compound Name[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
PubChem CID7981951
Molecular FormulaC17H18N2O6
Molecular Weight346.34 g/mol
Exact Mass346.12
IUPAC Name[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
SMILESCc1cccc(OCC(=O)OCC(=O)NNC(=O)c2ccco2)c1C
InChIInChI=1S/C17H18N2O6/c1-11-5-3-6-13(12(11)2)24-10-16(21)25-9-15(20)18-19-17(22)14-7-4-8-23-14/h3-8H,9-10H2,1-2H3,(H,18,20)(H,19,22)
InChIKeyFTNYCYZLRMHDRT-UHFFFAOYSA-N
XLogP1.28
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 ≤ 51.28
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] 2-(2-bromo-4-methylphenoxy)acetate
CID 9063759
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 8527703
N'-[2-(4-chloro-2-methylphenoxy)acetyl]furan-2-carbohydrazide
CID 2273531
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 7981876
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-(2,3-dimethylphenoxy)acetate
CID 7982127
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 8581903
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 8581872
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate
CID 7771212
N-[3-[[2-(2,3-dimethylphenoxy)acetyl]amino]-4-methoxyphenyl]furan-2-carboxamide
CID 3157279
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-methoxybenzoate
CID 7811362
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 7982074
N-[5-[(2,3-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 921879

Frequently Asked Questions

What is the IUPAC name of [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate?
The IUPAC name of [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate (CID 7981951) is [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate.
What is the SMILES notation for [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate?
The canonical SMILES for [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate is Cc1cccc(OCC(=O)OCC(=O)NNC(=O)c2ccco2)c1C.
What is the InChIKey of [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate?
The InChIKey is FTNYCYZLRMHDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O6/c1-11-5-3-6-13(12(11)2)24-10-16(21)25-9-15(20)18-19-17(22)14-7-4-8-23-14/h3-8H,9-10H2,1-2H3,(H,18,20)(H,19,22).
What are the key properties of [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate?
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate has a molecular weight of 346.34 g/mol, XLogP of 1.28, 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] 2-(2,3-dimethylphenoxy)acetate is sourced from PubChem (CID 7981951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).