4-[(3-ethylphenoxy)methyl]-5-methylfuran-2-carbohydrazide

C15H18N2O3 — CID 63576037

IUPAC4-[(3-ethylphenoxy)methyl]-5-methylfuran-2-carbohydrazide
SMILESCCc1cccc(OCc2cc(C(=O)NN)oc2C)c1
InChIInChI=1S/C15H18N2O3/c1-3-11-5-4-6-13(7-11)19-9-12-8-14(15(18)17-16)20-10(12)2/h4-8H,3,9,16H2,1-2H3,(H,17,18)
InChIKeyXEEQGEYSVSELOB-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.33
Rot. Bonds5

About 4-[(3-ethylphenoxy)methyl]-5-methylfuran-2-carbohydrazide

4-[(3-ethylphenoxy)methyl]-5-methylfuran-2-carbohydrazide (PubChem CID 63576037) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-[(3-ethylphenoxy)methyl]-5-methylfuran-2-carbohydrazide.

Molecular Properties

Compound Name4-[(3-ethylphenoxy)methyl]-5-methylfuran-2-carbohydrazide
PubChem CID63576037
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name4-[(3-ethylphenoxy)methyl]-5-methylfuran-2-carbohydrazide
SMILESCCc1cccc(OCc2cc(C(=O)NN)oc2C)c1
InChIInChI=1S/C15H18N2O3/c1-3-11-5-4-6-13(7-11)19-9-12-8-14(15(18)17-16)20-10(12)2/h4-8H,3,9,16H2,1-2H3,(H,17,18)
InChIKeyXEEQGEYSVSELOB-UHFFFAOYSA-N
XLogP2.33
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-methoxyphenyl)methoxymethyl]-5-methylfuran-2-carbohydrazide
CID 63587965
4-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methoxy]benzamide
CID 63575000
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-5-methylfuran-2-carbohydrazide
CID 63575043
4-[(2-chlorophenoxy)methyl]-5-methylfuran-2-carbohydrazide
CID 55212421
4-[(3-chloro-4-cyanophenoxy)methyl]-5-methylfuran-2-carbohydrazide
CID 102724819
2-[(3-ethylphenoxy)methyl]furan-3-carbohydrazide
CID 55258210
5-methyl-4-[(2-propan-2-ylphenoxy)methyl]furan-2-carbohydrazide
CID 63574464
5-methyl-4-[(4-phenoxyphenoxy)methyl]furan-2-carboxylic acid
CID 22685896
4-[(4-chloro-2,6-dimethylphenoxy)methyl]-5-methylfuran-2-carbohydrazide
CID 63575453
5-methyl-4-[(3-methylsulfonylphenoxy)methyl]furan-2-carboxylic acid
CID 62273090
5-methyl-4-(3-phenylpropoxymethyl)furan-2-carbohydrazide
CID 63570213
5-methyl-4-[(2-nitrophenoxy)methyl]furan-2-carbohydrazide
CID 63574456

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethylphenoxy)methyl]-5-methylfuran-2-carbohydrazide?
The IUPAC name of 4-[(3-ethylphenoxy)methyl]-5-methylfuran-2-carbohydrazide (CID 63576037) is 4-[(3-ethylphenoxy)methyl]-5-methylfuran-2-carbohydrazide.
What is the SMILES notation for 4-[(3-ethylphenoxy)methyl]-5-methylfuran-2-carbohydrazide?
The canonical SMILES for 4-[(3-ethylphenoxy)methyl]-5-methylfuran-2-carbohydrazide is CCc1cccc(OCc2cc(C(=O)NN)oc2C)c1.
What is the InChIKey of 4-[(3-ethylphenoxy)methyl]-5-methylfuran-2-carbohydrazide?
The InChIKey is XEEQGEYSVSELOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-11-5-4-6-13(7-11)19-9-12-8-14(15(18)17-16)20-10(12)2/h4-8H,3,9,16H2,1-2H3,(H,17,18).
What are the key properties of 4-[(3-ethylphenoxy)methyl]-5-methylfuran-2-carbohydrazide?
4-[(3-ethylphenoxy)methyl]-5-methylfuran-2-carbohydrazide has a molecular weight of 274.32 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethylphenoxy)methyl]-5-methylfuran-2-carbohydrazide is sourced from PubChem (CID 63576037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).