N-hexyl-2-(1-hydroxycyclohexyl)acetamide

C14H27NO2 — CID 111331734

IUPACN-hexyl-2-(1-hydroxycyclohexyl)acetamide
SMILESCCCCCCNC(=O)CC1(O)CCCCC1
InChIInChI=1S/C14H27NO2/c1-2-3-4-8-11-15-13(16)12-14(17)9-6-5-7-10-14/h17H,2-12H2,1H3,(H,15,16)
InChIKeyMGSIZSNPUGCEQH-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.77
Rot. Bonds7

About N-hexyl-2-(1-hydroxycyclohexyl)acetamide

N-hexyl-2-(1-hydroxycyclohexyl)acetamide (PubChem CID 111331734) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is N-hexyl-2-(1-hydroxycyclohexyl)acetamide.

Molecular Properties

Compound NameN-hexyl-2-(1-hydroxycyclohexyl)acetamide
PubChem CID111331734
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN-hexyl-2-(1-hydroxycyclohexyl)acetamide
SMILESCCCCCCNC(=O)CC1(O)CCCCC1
InChIInChI=1S/C14H27NO2/c1-2-3-4-8-11-15-13(16)12-14(17)9-6-5-7-10-14/h17H,2-12H2,1H3,(H,15,16)
InChIKeyMGSIZSNPUGCEQH-UHFFFAOYSA-N
XLogP2.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hexyl-2-(1-hydroxycyclohexyl)acetamide?
The IUPAC name of N-hexyl-2-(1-hydroxycyclohexyl)acetamide (CID 111331734) is N-hexyl-2-(1-hydroxycyclohexyl)acetamide.
What is the SMILES notation for N-hexyl-2-(1-hydroxycyclohexyl)acetamide?
The canonical SMILES for N-hexyl-2-(1-hydroxycyclohexyl)acetamide is CCCCCCNC(=O)CC1(O)CCCCC1.
What is the InChIKey of N-hexyl-2-(1-hydroxycyclohexyl)acetamide?
The InChIKey is MGSIZSNPUGCEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-2-3-4-8-11-15-13(16)12-14(17)9-6-5-7-10-14/h17H,2-12H2,1H3,(H,15,16).
What are the key properties of N-hexyl-2-(1-hydroxycyclohexyl)acetamide?
N-hexyl-2-(1-hydroxycyclohexyl)acetamide has a molecular weight of 241.37 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2-(1-hydroxycyclohexyl)acetamide is sourced from PubChem (CID 111331734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).