4-[(3,4-dimethylcyclohexyl)oxymethyl]-5-methylfuran-2-carbohydrazide

C15H24N2O3 — CID 64740923

IUPAC4-[(3,4-dimethylcyclohexyl)oxymethyl]-5-methylfuran-2-carbohydrazide
SMILESCc1oc(C(=O)NN)cc1COC1CCC(C)C(C)C1
InChIInChI=1S/C15H24N2O3/c1-9-4-5-13(6-10(9)2)19-8-12-7-14(15(18)17-16)20-11(12)3/h7,9-10,13H,4-6,8,16H2,1-3H3,(H,17,18)
InChIKeyADNVGPAIRVGOGE-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.53
Rot. Bonds4

About 4-[(3,4-dimethylcyclohexyl)oxymethyl]-5-methylfuran-2-carbohydrazide

4-[(3,4-dimethylcyclohexyl)oxymethyl]-5-methylfuran-2-carbohydrazide (PubChem CID 64740923) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-[(3,4-dimethylcyclohexyl)oxymethyl]-5-methylfuran-2-carbohydrazide.

Molecular Properties

Compound Name4-[(3,4-dimethylcyclohexyl)oxymethyl]-5-methylfuran-2-carbohydrazide
PubChem CID64740923
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name4-[(3,4-dimethylcyclohexyl)oxymethyl]-5-methylfuran-2-carbohydrazide
SMILESCc1oc(C(=O)NN)cc1COC1CCC(C)C(C)C1
InChIInChI=1S/C15H24N2O3/c1-9-4-5-13(6-10(9)2)19-8-12-7-14(15(18)17-16)20-11(12)3/h7,9-10,13H,4-6,8,16H2,1-3H3,(H,17,18)
InChIKeyADNVGPAIRVGOGE-UHFFFAOYSA-N
XLogP2.53
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.53
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 4-[(3,4-dimethylcyclohexyl)oxymethyl]-5-methylfuran-2-carbohydrazide?
The IUPAC name of 4-[(3,4-dimethylcyclohexyl)oxymethyl]-5-methylfuran-2-carbohydrazide (CID 64740923) is 4-[(3,4-dimethylcyclohexyl)oxymethyl]-5-methylfuran-2-carbohydrazide.
What is the SMILES notation for 4-[(3,4-dimethylcyclohexyl)oxymethyl]-5-methylfuran-2-carbohydrazide?
The canonical SMILES for 4-[(3,4-dimethylcyclohexyl)oxymethyl]-5-methylfuran-2-carbohydrazide is Cc1oc(C(=O)NN)cc1COC1CCC(C)C(C)C1.
What is the InChIKey of 4-[(3,4-dimethylcyclohexyl)oxymethyl]-5-methylfuran-2-carbohydrazide?
The InChIKey is ADNVGPAIRVGOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-9-4-5-13(6-10(9)2)19-8-12-7-14(15(18)17-16)20-11(12)3/h7,9-10,13H,4-6,8,16H2,1-3H3,(H,17,18).
What are the key properties of 4-[(3,4-dimethylcyclohexyl)oxymethyl]-5-methylfuran-2-carbohydrazide?
4-[(3,4-dimethylcyclohexyl)oxymethyl]-5-methylfuran-2-carbohydrazide has a molecular weight of 280.37 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylcyclohexyl)oxymethyl]-5-methylfuran-2-carbohydrazide is sourced from PubChem (CID 64740923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).