2-[4-(4-cyclohexylbutoxy)cyclohexyl]-N-hydroxyacetamide

C18H33NO3 — CID 140638332

IUPAC2-[4-(4-cyclohexylbutoxy)cyclohexyl]-N-hydroxyacetamide
SMILESO=C(CC1CCC(OCCCCC2CCCCC2)CC1)NO
InChIInChI=1S/C18H33NO3/c20-18(19-21)14-16-9-11-17(12-10-16)22-13-5-4-8-15-6-2-1-3-7-15/h15-17,21H,1-14H2,(H,19,20)
InChIKeyYSWVOQPMLBOYDG-UHFFFAOYSA-N
MW311.47 g/mol
LogP4.21
Rot. Bonds8

About 2-[4-(4-cyclohexylbutoxy)cyclohexyl]-N-hydroxyacetamide

2-[4-(4-cyclohexylbutoxy)cyclohexyl]-N-hydroxyacetamide (PubChem CID 140638332) has the molecular formula C18H33NO3 and a molecular weight of 311.47 g/mol. Its IUPAC name is 2-[4-(4-cyclohexylbutoxy)cyclohexyl]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[4-(4-cyclohexylbutoxy)cyclohexyl]-N-hydroxyacetamide
PubChem CID140638332
Molecular FormulaC18H33NO3
Molecular Weight311.47 g/mol
Exact Mass311.25
IUPAC Name2-[4-(4-cyclohexylbutoxy)cyclohexyl]-N-hydroxyacetamide
SMILESO=C(CC1CCC(OCCCCC2CCCCC2)CC1)NO
InChIInChI=1S/C18H33NO3/c20-18(19-21)14-16-9-11-17(12-10-16)22-13-5-4-8-15-6-2-1-3-7-15/h15-17,21H,1-14H2,(H,19,20)
InChIKeyYSWVOQPMLBOYDG-UHFFFAOYSA-N
XLogP4.21
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', '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-[4-(4-cyclohexylbutoxy)cyclohexyl]-N-hydroxyacetamide?
The IUPAC name of 2-[4-(4-cyclohexylbutoxy)cyclohexyl]-N-hydroxyacetamide (CID 140638332) is 2-[4-(4-cyclohexylbutoxy)cyclohexyl]-N-hydroxyacetamide.
What is the SMILES notation for 2-[4-(4-cyclohexylbutoxy)cyclohexyl]-N-hydroxyacetamide?
The canonical SMILES for 2-[4-(4-cyclohexylbutoxy)cyclohexyl]-N-hydroxyacetamide is O=C(CC1CCC(OCCCCC2CCCCC2)CC1)NO.
What is the InChIKey of 2-[4-(4-cyclohexylbutoxy)cyclohexyl]-N-hydroxyacetamide?
The InChIKey is YSWVOQPMLBOYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO3/c20-18(19-21)14-16-9-11-17(12-10-16)22-13-5-4-8-15-6-2-1-3-7-15/h15-17,21H,1-14H2,(H,19,20).
What are the key properties of 2-[4-(4-cyclohexylbutoxy)cyclohexyl]-N-hydroxyacetamide?
2-[4-(4-cyclohexylbutoxy)cyclohexyl]-N-hydroxyacetamide has a molecular weight of 311.47 g/mol, XLogP of 4.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyclohexylbutoxy)cyclohexyl]-N-hydroxyacetamide is sourced from PubChem (CID 140638332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).