N-[4-(hydroxymethyl)oxan-4-yl]octanamide

C14H27NO3 — CID 103954157

IUPACN-[4-(hydroxymethyl)oxan-4-yl]octanamide
SMILESCCCCCCCC(=O)NC1(CO)CCOCC1
InChIInChI=1S/C14H27NO3/c1-2-3-4-5-6-7-13(17)15-14(12-16)8-10-18-11-9-14/h16H,2-12H2,1H3,(H,15,17)
InChIKeyWFJCLGOSJZKCKN-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.00
Rot. Bonds8

About N-[4-(hydroxymethyl)oxan-4-yl]octanamide

N-[4-(hydroxymethyl)oxan-4-yl]octanamide (PubChem CID 103954157) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)oxan-4-yl]octanamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)oxan-4-yl]octanamide
PubChem CID103954157
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC NameN-[4-(hydroxymethyl)oxan-4-yl]octanamide
SMILESCCCCCCCC(=O)NC1(CO)CCOCC1
InChIInChI=1S/C14H27NO3/c1-2-3-4-5-6-7-13(17)15-14(12-16)8-10-18-11-9-14/h16H,2-12H2,1H3,(H,15,17)
InChIKeyWFJCLGOSJZKCKN-UHFFFAOYSA-N
XLogP2.00
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[4-(hydroxymethyl)oxan-4-yl]octanamide?
The IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]octanamide (CID 103954157) is N-[4-(hydroxymethyl)oxan-4-yl]octanamide.
What is the SMILES notation for N-[4-(hydroxymethyl)oxan-4-yl]octanamide?
The canonical SMILES for N-[4-(hydroxymethyl)oxan-4-yl]octanamide is CCCCCCCC(=O)NC1(CO)CCOCC1.
What is the InChIKey of N-[4-(hydroxymethyl)oxan-4-yl]octanamide?
The InChIKey is WFJCLGOSJZKCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-2-3-4-5-6-7-13(17)15-14(12-16)8-10-18-11-9-14/h16H,2-12H2,1H3,(H,15,17).
What are the key properties of N-[4-(hydroxymethyl)oxan-4-yl]octanamide?
N-[4-(hydroxymethyl)oxan-4-yl]octanamide has a molecular weight of 257.37 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)oxan-4-yl]octanamide is sourced from PubChem (CID 103954157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).