2-methyl-5-[(4-methylcyclohexyl)oxymethyl]furan-3-carbohydrazide

C14H22N2O3 — CID 63575241

IUPAC2-methyl-5-[(4-methylcyclohexyl)oxymethyl]furan-3-carbohydrazide
SMILESCc1oc(COC2CCC(C)CC2)cc1C(=O)NN
InChIInChI=1S/C14H22N2O3/c1-9-3-5-11(6-4-9)18-8-12-7-13(10(2)19-12)14(17)16-15/h7,9,11H,3-6,8,15H2,1-2H3,(H,16,17)
InChIKeyJXHPWEGEUZMQLX-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.29
Rot. Bonds4

About 2-methyl-5-[(4-methylcyclohexyl)oxymethyl]furan-3-carbohydrazide

2-methyl-5-[(4-methylcyclohexyl)oxymethyl]furan-3-carbohydrazide (PubChem CID 63575241) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-methyl-5-[(4-methylcyclohexyl)oxymethyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-methyl-5-[(4-methylcyclohexyl)oxymethyl]furan-3-carbohydrazide
PubChem CID63575241
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-methyl-5-[(4-methylcyclohexyl)oxymethyl]furan-3-carbohydrazide
SMILESCc1oc(COC2CCC(C)CC2)cc1C(=O)NN
InChIInChI=1S/C14H22N2O3/c1-9-3-5-11(6-4-9)18-8-12-7-13(10(2)19-12)14(17)16-15/h7,9,11H,3-6,8,15H2,1-2H3,(H,16,17)
InChIKeyJXHPWEGEUZMQLX-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(4-methylcyclohexyl)oxymethyl]furan-3-carbohydrazide?
The IUPAC name of 2-methyl-5-[(4-methylcyclohexyl)oxymethyl]furan-3-carbohydrazide (CID 63575241) is 2-methyl-5-[(4-methylcyclohexyl)oxymethyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-methyl-5-[(4-methylcyclohexyl)oxymethyl]furan-3-carbohydrazide?
The canonical SMILES for 2-methyl-5-[(4-methylcyclohexyl)oxymethyl]furan-3-carbohydrazide is Cc1oc(COC2CCC(C)CC2)cc1C(=O)NN.
What is the InChIKey of 2-methyl-5-[(4-methylcyclohexyl)oxymethyl]furan-3-carbohydrazide?
The InChIKey is JXHPWEGEUZMQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9-3-5-11(6-4-9)18-8-12-7-13(10(2)19-12)14(17)16-15/h7,9,11H,3-6,8,15H2,1-2H3,(H,16,17).
What are the key properties of 2-methyl-5-[(4-methylcyclohexyl)oxymethyl]furan-3-carbohydrazide?
2-methyl-5-[(4-methylcyclohexyl)oxymethyl]furan-3-carbohydrazide has a molecular weight of 266.34 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(4-methylcyclohexyl)oxymethyl]furan-3-carbohydrazide is sourced from PubChem (CID 63575241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).