2-[(3,4-dimethylcyclohexyl)oxymethyl]furan-3-carbohydrazide

C14H22N2O3 — CID 64740338

IUPAC2-[(3,4-dimethylcyclohexyl)oxymethyl]furan-3-carbohydrazide
SMILESCC1CCC(OCc2occc2C(=O)NN)CC1C
InChIInChI=1S/C14H22N2O3/c1-9-3-4-11(7-10(9)2)19-8-13-12(5-6-18-13)14(17)16-15/h5-6,9-11H,3-4,7-8,15H2,1-2H3,(H,16,17)
InChIKeyNBFIHMLOCCBQGV-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.22
Rot. Bonds4

About 2-[(3,4-dimethylcyclohexyl)oxymethyl]furan-3-carbohydrazide

2-[(3,4-dimethylcyclohexyl)oxymethyl]furan-3-carbohydrazide (PubChem CID 64740338) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[(3,4-dimethylcyclohexyl)oxymethyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-[(3,4-dimethylcyclohexyl)oxymethyl]furan-3-carbohydrazide
PubChem CID64740338
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[(3,4-dimethylcyclohexyl)oxymethyl]furan-3-carbohydrazide
SMILESCC1CCC(OCc2occc2C(=O)NN)CC1C
InChIInChI=1S/C14H22N2O3/c1-9-3-4-11(7-10(9)2)19-8-13-12(5-6-18-13)14(17)16-15/h5-6,9-11H,3-4,7-8,15H2,1-2H3,(H,16,17)
InChIKeyNBFIHMLOCCBQGV-UHFFFAOYSA-N
XLogP2.22
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.22
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

2-(cyclohexyloxymethyl)furan-3-carbohydrazide
CID 63588139
2-[(4-ethoxypiperidin-1-yl)methyl]furan-3-carbohydrazide
CID 63572841
2-(octoxymethyl)furan-3-carbohydrazide
CID 63574840
4-[(3,4-dimethylcyclohexyl)oxymethyl]-5-methylfuran-2-carbohydrazide
CID 64740923
2-(cyclohexylmethoxymethyl)furan-3-carbohydrazide
CID 63569313
N-[[2-[(3,4-dimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-1-amine
CID 64738120
2-[2-(2-methoxyethoxy)ethoxymethyl]furan-3-carbohydrazide
CID 104567494
2-[(2-methylcyclohexyl)oxymethyl]furan-3-carboxylic acid
CID 43477499
2-[[cyclopropyl(2-methoxyethyl)amino]methyl]furan-3-carbohydrazide
CID 63585303
2-(4,4,4-trifluorobutoxymethyl)furan-3-carbohydrazide
CID 82793157
2-methyl-5-[(4-methylcyclohexyl)oxymethyl]furan-3-carbohydrazide
CID 63575241
2-[(2,5-dimethylphenoxy)methyl]furan-3-carbohydrazide
CID 63576851

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylcyclohexyl)oxymethyl]furan-3-carbohydrazide?
The IUPAC name of 2-[(3,4-dimethylcyclohexyl)oxymethyl]furan-3-carbohydrazide (CID 64740338) is 2-[(3,4-dimethylcyclohexyl)oxymethyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-[(3,4-dimethylcyclohexyl)oxymethyl]furan-3-carbohydrazide?
The canonical SMILES for 2-[(3,4-dimethylcyclohexyl)oxymethyl]furan-3-carbohydrazide is CC1CCC(OCc2occc2C(=O)NN)CC1C.
What is the InChIKey of 2-[(3,4-dimethylcyclohexyl)oxymethyl]furan-3-carbohydrazide?
The InChIKey is NBFIHMLOCCBQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9-3-4-11(7-10(9)2)19-8-13-12(5-6-18-13)14(17)16-15/h5-6,9-11H,3-4,7-8,15H2,1-2H3,(H,16,17).
What are the key properties of 2-[(3,4-dimethylcyclohexyl)oxymethyl]furan-3-carbohydrazide?
2-[(3,4-dimethylcyclohexyl)oxymethyl]furan-3-carbohydrazide has a molecular weight of 266.34 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethylcyclohexyl)oxymethyl]furan-3-carbohydrazide is sourced from PubChem (CID 64740338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).