2-(cyclohexylmethoxymethyl)furan-3-carbohydrazide

C13H20N2O3 — CID 63569313

IUPAC2-(cyclohexylmethoxymethyl)furan-3-carbohydrazide
SMILESNNC(=O)c1ccoc1COCC1CCCCC1
InChIInChI=1S/C13H20N2O3/c14-15-13(16)11-6-7-18-12(11)9-17-8-10-4-2-1-3-5-10/h6-7,10H,1-5,8-9,14H2,(H,15,16)
InChIKeyXVWBFUSXHMUVIM-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.98
Rot. Bonds5

About 2-(cyclohexylmethoxymethyl)furan-3-carbohydrazide

2-(cyclohexylmethoxymethyl)furan-3-carbohydrazide (PubChem CID 63569313) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-(cyclohexylmethoxymethyl)furan-3-carbohydrazide.

Molecular Properties

Compound Name2-(cyclohexylmethoxymethyl)furan-3-carbohydrazide
PubChem CID63569313
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-(cyclohexylmethoxymethyl)furan-3-carbohydrazide
SMILESNNC(=O)c1ccoc1COCC1CCCCC1
InChIInChI=1S/C13H20N2O3/c14-15-13(16)11-6-7-18-12(11)9-17-8-10-4-2-1-3-5-10/h6-7,10H,1-5,8-9,14H2,(H,15,16)
InChIKeyXVWBFUSXHMUVIM-UHFFFAOYSA-N
XLogP1.98
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.98
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

N'-(2-fluorobenzoyl)-2-methyl-3-furohydrazide
CID 2223043
N'-(cyclopentanecarbonyl)-2-methylfuran-3-carbohydrazide
CID 2545942
2-Methylfuran-3-carbohydrazide
CID 1987739
4-Fluoro-benzoic acid N'-(2-methyl-furan-3-carbonyl)-hydrazide
CID 772287
2-methyl-N'-(phenylacetyl)-3-furohydrazide
CID 833135
N'-[(2-methoxyphenoxy)acetyl]-2-methyl-3-furohydrazide
CID 833137
N'-(cyclopropylcarbonyl)-2-methyl-3-furohydrazide
CID 833151
Cyclohexanecarboxylic acid N'-(2-methyl-furan-3-carbonyl)-hydrazide
CID 846329
N'-[(2,6-dimethylphenoxy)acetyl]-2-methyl-3-furohydrazide
CID 969127
2-methyl-N'-[2-(2-methylphenoxy)acetyl]furan-3-carbohydrazide
CID 932497
2-methyl-N'-[3-(3-methylphenoxy)propanoyl]furan-3-carbohydrazide
CID 2564796
2,5-dimethyl-N'-(4-phenoxybutanoyl)furan-3-carbohydrazide
CID 7478939

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethoxymethyl)furan-3-carbohydrazide?
The IUPAC name of 2-(cyclohexylmethoxymethyl)furan-3-carbohydrazide (CID 63569313) is 2-(cyclohexylmethoxymethyl)furan-3-carbohydrazide.
What is the SMILES notation for 2-(cyclohexylmethoxymethyl)furan-3-carbohydrazide?
The canonical SMILES for 2-(cyclohexylmethoxymethyl)furan-3-carbohydrazide is NNC(=O)c1ccoc1COCC1CCCCC1.
What is the InChIKey of 2-(cyclohexylmethoxymethyl)furan-3-carbohydrazide?
The InChIKey is XVWBFUSXHMUVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c14-15-13(16)11-6-7-18-12(11)9-17-8-10-4-2-1-3-5-10/h6-7,10H,1-5,8-9,14H2,(H,15,16).
What are the key properties of 2-(cyclohexylmethoxymethyl)furan-3-carbohydrazide?
2-(cyclohexylmethoxymethyl)furan-3-carbohydrazide has a molecular weight of 252.31 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethoxymethyl)furan-3-carbohydrazide is sourced from PubChem (CID 63569313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).