N-(oxolan-2-ylmethyl)octanamide

C13H25NO2 — CID 531795

IUPACN-(oxolan-2-ylmethyl)octanamide
SMILESCCCCCCCC(=O)NCC1CCCO1
InChIInChI=1S/C13H25NO2/c1-2-3-4-5-6-9-13(15)14-11-12-8-7-10-16-12/h12H,2-11H2,1H3,(H,14,15)
InChIKeyXGUHXZQZNDSZKK-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.64
Rot. Bonds8

About N-(oxolan-2-ylmethyl)octanamide

N-(oxolan-2-ylmethyl)octanamide (PubChem CID 531795) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)octanamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)octanamide
PubChem CID531795
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-(oxolan-2-ylmethyl)octanamide
SMILESCCCCCCCC(=O)NCC1CCCO1
InChIInChI=1S/C13H25NO2/c1-2-3-4-5-6-9-13(15)14-11-12-8-7-10-16-12/h12H,2-11H2,1H3,(H,14,15)
InChIKeyXGUHXZQZNDSZKK-UHFFFAOYSA-N
XLogP2.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
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-(oxolan-2-ylmethyl)octanamide?
The IUPAC name of N-(oxolan-2-ylmethyl)octanamide (CID 531795) is N-(oxolan-2-ylmethyl)octanamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)octanamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)octanamide is CCCCCCCC(=O)NCC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)octanamide?
The InChIKey is XGUHXZQZNDSZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-2-3-4-5-6-9-13(15)14-11-12-8-7-10-16-12/h12H,2-11H2,1H3,(H,14,15).
What are the key properties of N-(oxolan-2-ylmethyl)octanamide?
N-(oxolan-2-ylmethyl)octanamide has a molecular weight of 227.35 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)octanamide is sourced from PubChem (CID 531795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).