N-[(1-hydroxycyclohexyl)methyl]octanamide

C15H29NO2 — CID 64866136

IUPACN-[(1-hydroxycyclohexyl)methyl]octanamide
SMILESCCCCCCCC(=O)NCC1(O)CCCCC1
InChIInChI=1S/C15H29NO2/c1-2-3-4-5-7-10-14(17)16-13-15(18)11-8-6-9-12-15/h18H,2-13H2,1H3,(H,16,17)
InChIKeyASYIMLITGIFHEJ-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.16
Rot. Bonds8

About N-[(1-hydroxycyclohexyl)methyl]octanamide

N-[(1-hydroxycyclohexyl)methyl]octanamide (PubChem CID 64866136) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]octanamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]octanamide
PubChem CID64866136
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]octanamide
SMILESCCCCCCCC(=O)NCC1(O)CCCCC1
InChIInChI=1S/C15H29NO2/c1-2-3-4-5-7-10-14(17)16-13-15(18)11-8-6-9-12-15/h18H,2-13H2,1H3,(H,16,17)
InChIKeyASYIMLITGIFHEJ-UHFFFAOYSA-N
XLogP3.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.16
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-[(1-hydroxycyclohexyl)methyl]octanamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]octanamide (CID 64866136) is N-[(1-hydroxycyclohexyl)methyl]octanamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]octanamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]octanamide is CCCCCCCC(=O)NCC1(O)CCCCC1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]octanamide?
The InChIKey is ASYIMLITGIFHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-2-3-4-5-7-10-14(17)16-13-15(18)11-8-6-9-12-15/h18H,2-13H2,1H3,(H,16,17).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]octanamide?
N-[(1-hydroxycyclohexyl)methyl]octanamide has a molecular weight of 255.40 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]octanamide is sourced from PubChem (CID 64866136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).