5-[(3,5-dimethoxyphenoxy)methyl]furan-2-carbohydrazide

C14H16N2O5 — CID 63570670

IUPAC5-[(3,5-dimethoxyphenoxy)methyl]furan-2-carbohydrazide
SMILESCOc1cc(OC)cc(OCc2ccc(C(=O)NN)o2)c1
InChIInChI=1S/C14H16N2O5/c1-18-10-5-11(19-2)7-12(6-10)20-8-9-3-4-13(21-9)14(17)16-15/h3-7H,8,15H2,1-2H3,(H,16,17)
InChIKeyZMPKIIHCALDGJB-UHFFFAOYSA-N
MW292.29 g/mol
LogP1.48
Rot. Bonds6

About 5-[(3,5-dimethoxyphenoxy)methyl]furan-2-carbohydrazide

5-[(3,5-dimethoxyphenoxy)methyl]furan-2-carbohydrazide (PubChem CID 63570670) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 5-[(3,5-dimethoxyphenoxy)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-[(3,5-dimethoxyphenoxy)methyl]furan-2-carbohydrazide
PubChem CID63570670
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name5-[(3,5-dimethoxyphenoxy)methyl]furan-2-carbohydrazide
SMILESCOc1cc(OC)cc(OCc2ccc(C(=O)NN)o2)c1
InChIInChI=1S/C14H16N2O5/c1-18-10-5-11(19-2)7-12(6-10)20-8-9-3-4-13(21-9)14(17)16-15/h3-7H,8,15H2,1-2H3,(H,16,17)
InChIKeyZMPKIIHCALDGJB-UHFFFAOYSA-N
XLogP1.48
TPSA95.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

5-[(4-ethoxyphenoxy)methyl]furan-2-carbohydrazide
CID 5104781
N-[3-[[5-(hydrazinecarbonyl)furan-2-yl]methoxy]phenyl]acetamide
CID 63574857
5-[(3-propan-2-ylphenoxy)methyl]furan-2-carbohydrazide
CID 63577007
3-[[5-(hydrazinecarbonyl)furan-2-yl]methoxy]benzamide
CID 63575860
5-[(4-methylsulfonylphenoxy)methyl]furan-2-carbohydrazide
CID 63568571
methyl 5-[(3,5-dimethoxybenzoyl)oxymethyl]furan-2-carboxylate
CID 2516450
5-[(2-ethoxyphenoxy)methyl]furan-2-carbohydrazide
CID 7018661
5-[(3,5-dimethylphenoxy)methyl]-N-ethylfuran-2-carboxamide
CID 19463410
5-[(3,5-dimethylphenoxy)methyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 19463380
5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-2-carbohydrazide
CID 116804127
N-methyl-5-(phenoxymethyl)furan-2-carboxamide
CID 7678218
5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxylic acid
CID 725878

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethoxyphenoxy)methyl]furan-2-carbohydrazide?
The IUPAC name of 5-[(3,5-dimethoxyphenoxy)methyl]furan-2-carbohydrazide (CID 63570670) is 5-[(3,5-dimethoxyphenoxy)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-[(3,5-dimethoxyphenoxy)methyl]furan-2-carbohydrazide?
The canonical SMILES for 5-[(3,5-dimethoxyphenoxy)methyl]furan-2-carbohydrazide is COc1cc(OC)cc(OCc2ccc(C(=O)NN)o2)c1.
What is the InChIKey of 5-[(3,5-dimethoxyphenoxy)methyl]furan-2-carbohydrazide?
The InChIKey is ZMPKIIHCALDGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-18-10-5-11(19-2)7-12(6-10)20-8-9-3-4-13(21-9)14(17)16-15/h3-7H,8,15H2,1-2H3,(H,16,17).
What are the key properties of 5-[(3,5-dimethoxyphenoxy)methyl]furan-2-carbohydrazide?
5-[(3,5-dimethoxyphenoxy)methyl]furan-2-carbohydrazide has a molecular weight of 292.29 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethoxyphenoxy)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 63570670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).