5-(2-ethoxyethoxymethyl)-3-methylfuran-2-carbohydrazide

C11H18N2O4 — CID 63588542

IUPAC5-(2-ethoxyethoxymethyl)-3-methylfuran-2-carbohydrazide
SMILESCCOCCOCc1cc(C)c(C(=O)NN)o1
InChIInChI=1S/C11H18N2O4/c1-3-15-4-5-16-7-9-6-8(2)10(17-9)11(14)13-12/h6H,3-5,7,12H2,1-2H3,(H,13,14)
InChIKeyHBYXJRNCTPAFQN-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.74
Rot. Bonds7

About 5-(2-ethoxyethoxymethyl)-3-methylfuran-2-carbohydrazide

5-(2-ethoxyethoxymethyl)-3-methylfuran-2-carbohydrazide (PubChem CID 63588542) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 5-(2-ethoxyethoxymethyl)-3-methylfuran-2-carbohydrazide.

Molecular Properties

Compound Name5-(2-ethoxyethoxymethyl)-3-methylfuran-2-carbohydrazide
PubChem CID63588542
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name5-(2-ethoxyethoxymethyl)-3-methylfuran-2-carbohydrazide
SMILESCCOCCOCc1cc(C)c(C(=O)NN)o1
InChIInChI=1S/C11H18N2O4/c1-3-15-4-5-16-7-9-6-8(2)10(17-9)11(14)13-12/h6H,3-5,7,12H2,1-2H3,(H,13,14)
InChIKeyHBYXJRNCTPAFQN-UHFFFAOYSA-N
XLogP0.74
TPSA86.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(2-ethoxyethoxymethyl)furan-3-carbohydrazide
CID 63588537
5-[(3-methoxyphenyl)methoxymethyl]-3-methylfuran-2-carbohydrazide
CID 63588133
3-methyl-5-(methylsulfanylmethyl)furan-2-carbohydrazide
CID 63581814
N-[[5-(2-ethoxyethoxymethyl)-3-methylfuran-2-yl]methyl]ethanamine
CID 62444712
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-3-methylfuran-2-carbohydrazide
CID 63574877
3-methyl-5-(octoxymethyl)furan-2-carboxylic acid
CID 43620815
3-methyl-5-[2-(2-methylpropoxy)ethoxymethyl]furan-2-carboxylic acid
CID 106446601
5-[(2,5-difluorophenoxy)methyl]-3-methylfuran-2-carbohydrazide
CID 63570196
5-[(2,5-dichlorophenoxy)methyl]-3-methylfuran-2-carbohydrazide
CID 63575292
5-[(2,3-dichlorophenoxy)methyl]-3-methylfuran-2-carbohydrazide
CID 63574357
5-[(3-bromo-4-fluorophenoxy)methyl]-3-methylfuran-2-carbohydrazide
CID 83234267
5-[[3-(methoxymethyl)phenoxy]methyl]-3-methylfuran-2-carbohydrazide
CID 63985457

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyethoxymethyl)-3-methylfuran-2-carbohydrazide?
The IUPAC name of 5-(2-ethoxyethoxymethyl)-3-methylfuran-2-carbohydrazide (CID 63588542) is 5-(2-ethoxyethoxymethyl)-3-methylfuran-2-carbohydrazide.
What is the SMILES notation for 5-(2-ethoxyethoxymethyl)-3-methylfuran-2-carbohydrazide?
The canonical SMILES for 5-(2-ethoxyethoxymethyl)-3-methylfuran-2-carbohydrazide is CCOCCOCc1cc(C)c(C(=O)NN)o1.
What is the InChIKey of 5-(2-ethoxyethoxymethyl)-3-methylfuran-2-carbohydrazide?
The InChIKey is HBYXJRNCTPAFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-3-15-4-5-16-7-9-6-8(2)10(17-9)11(14)13-12/h6H,3-5,7,12H2,1-2H3,(H,13,14).
What are the key properties of 5-(2-ethoxyethoxymethyl)-3-methylfuran-2-carbohydrazide?
5-(2-ethoxyethoxymethyl)-3-methylfuran-2-carbohydrazide has a molecular weight of 242.27 g/mol, XLogP of 0.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyethoxymethyl)-3-methylfuran-2-carbohydrazide is sourced from PubChem (CID 63588542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).