2-cyclohexyl-N-octylacetamide

C16H31NO — CID 3547359

IUPAC2-cyclohexyl-N-octylacetamide
SMILESCCCCCCCCNC(=O)CC1CCCCC1
InChIInChI=1S/C16H31NO/c1-2-3-4-5-6-10-13-17-16(18)14-15-11-8-7-9-12-15/h15H,2-14H2,1H3,(H,17,18)
InChIKeyKKHYAMHPSJTMLY-UHFFFAOYSA-N
MW253.43 g/mol
LogP4.43
Rot. Bonds9

About 2-cyclohexyl-N-octylacetamide

2-cyclohexyl-N-octylacetamide (PubChem CID 3547359) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-cyclohexyl-N-octylacetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-octylacetamide
PubChem CID3547359
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name2-cyclohexyl-N-octylacetamide
SMILESCCCCCCCCNC(=O)CC1CCCCC1
InChIInChI=1S/C16H31NO/c1-2-3-4-5-6-10-13-17-16(18)14-15-11-8-7-9-12-15/h15H,2-14H2,1H3,(H,17,18)
InChIKeyKKHYAMHPSJTMLY-UHFFFAOYSA-N
XLogP4.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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2-(3-aminocyclohexyl)-N-pentylacetamide
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CID 24706958
2-cyclohexyl-N-[4-(1-methylpiperidin-1-ium-1-yl)butyl]acetamide
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CID 60976119
N-[2-[(N'-butyl-N-ethylcarbamimidoyl)amino]ethyl]-2-cyclohexylacetamide
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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-octylacetamide?
The IUPAC name of 2-cyclohexyl-N-octylacetamide (CID 3547359) is 2-cyclohexyl-N-octylacetamide.
What is the SMILES notation for 2-cyclohexyl-N-octylacetamide?
The canonical SMILES for 2-cyclohexyl-N-octylacetamide is CCCCCCCCNC(=O)CC1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-octylacetamide?
The InChIKey is KKHYAMHPSJTMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-2-3-4-5-6-10-13-17-16(18)14-15-11-8-7-9-12-15/h15H,2-14H2,1H3,(H,17,18).
What are the key properties of 2-cyclohexyl-N-octylacetamide?
2-cyclohexyl-N-octylacetamide has a molecular weight of 253.43 g/mol, XLogP of 4.43, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-octylacetamide is sourced from PubChem (CID 3547359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).