3-[(4,4-dimethylcyclohexyl)oxymethyl]benzohydrazide

C16H24N2O2 — CID 114342641

IUPAC3-[(4,4-dimethylcyclohexyl)oxymethyl]benzohydrazide
SMILESCC1(C)CCC(OCc2cccc(C(=O)NN)c2)CC1
InChIInChI=1S/C16H24N2O2/c1-16(2)8-6-14(7-9-16)20-11-12-4-3-5-13(10-12)15(19)18-17/h3-5,10,14H,6-9,11,17H2,1-2H3,(H,18,19)
InChIKeyVJLOHKLIRUACBB-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.78
Rot. Bonds4

About 3-[(4,4-dimethylcyclohexyl)oxymethyl]benzohydrazide

3-[(4,4-dimethylcyclohexyl)oxymethyl]benzohydrazide (PubChem CID 114342641) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[(4,4-dimethylcyclohexyl)oxymethyl]benzohydrazide.

Molecular Properties

Compound Name3-[(4,4-dimethylcyclohexyl)oxymethyl]benzohydrazide
PubChem CID114342641
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-[(4,4-dimethylcyclohexyl)oxymethyl]benzohydrazide
SMILESCC1(C)CCC(OCc2cccc(C(=O)NN)c2)CC1
InChIInChI=1S/C16H24N2O2/c1-16(2)8-6-14(7-9-16)20-11-12-4-3-5-13(10-12)15(19)18-17/h3-5,10,14H,6-9,11,17H2,1-2H3,(H,18,19)
InChIKeyVJLOHKLIRUACBB-UHFFFAOYSA-N
XLogP2.78
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 3-[(4,4-dimethylcyclohexyl)oxymethyl]benzohydrazide?
The IUPAC name of 3-[(4,4-dimethylcyclohexyl)oxymethyl]benzohydrazide (CID 114342641) is 3-[(4,4-dimethylcyclohexyl)oxymethyl]benzohydrazide.
What is the SMILES notation for 3-[(4,4-dimethylcyclohexyl)oxymethyl]benzohydrazide?
The canonical SMILES for 3-[(4,4-dimethylcyclohexyl)oxymethyl]benzohydrazide is CC1(C)CCC(OCc2cccc(C(=O)NN)c2)CC1.
What is the InChIKey of 3-[(4,4-dimethylcyclohexyl)oxymethyl]benzohydrazide?
The InChIKey is VJLOHKLIRUACBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2)8-6-14(7-9-16)20-11-12-4-3-5-13(10-12)15(19)18-17/h3-5,10,14H,6-9,11,17H2,1-2H3,(H,18,19).
What are the key properties of 3-[(4,4-dimethylcyclohexyl)oxymethyl]benzohydrazide?
3-[(4,4-dimethylcyclohexyl)oxymethyl]benzohydrazide has a molecular weight of 276.38 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,4-dimethylcyclohexyl)oxymethyl]benzohydrazide is sourced from PubChem (CID 114342641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).