8-amino-N-(oxolan-3-yloxy)octanamide

C12H24N2O3 — CID 89167613

IUPAC8-amino-N-(oxolan-3-yloxy)octanamide
SMILESNCCCCCCCC(=O)NOC1CCOC1
InChIInChI=1S/C12H24N2O3/c13-8-5-3-1-2-4-6-12(15)14-17-11-7-9-16-10-11/h11H,1-10,13H2,(H,14,15)
InChIKeyREXJUGLWVFZRNT-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.12
Rot. Bonds9

About 8-amino-N-(oxolan-3-yloxy)octanamide

8-amino-N-(oxolan-3-yloxy)octanamide (PubChem CID 89167613) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 8-amino-N-(oxolan-3-yloxy)octanamide.

Molecular Properties

Compound Name8-amino-N-(oxolan-3-yloxy)octanamide
PubChem CID89167613
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name8-amino-N-(oxolan-3-yloxy)octanamide
SMILESNCCCCCCCC(=O)NOC1CCOC1
InChIInChI=1S/C12H24N2O3/c13-8-5-3-1-2-4-6-12(15)14-17-11-7-9-16-10-11/h11H,1-10,13H2,(H,14,15)
InChIKeyREXJUGLWVFZRNT-UHFFFAOYSA-N
XLogP1.12
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-amino-N-(oxolan-3-yloxy)octanamide?
The IUPAC name of 8-amino-N-(oxolan-3-yloxy)octanamide (CID 89167613) is 8-amino-N-(oxolan-3-yloxy)octanamide.
What is the SMILES notation for 8-amino-N-(oxolan-3-yloxy)octanamide?
The canonical SMILES for 8-amino-N-(oxolan-3-yloxy)octanamide is NCCCCCCCC(=O)NOC1CCOC1.
What is the InChIKey of 8-amino-N-(oxolan-3-yloxy)octanamide?
The InChIKey is REXJUGLWVFZRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c13-8-5-3-1-2-4-6-12(15)14-17-11-7-9-16-10-11/h11H,1-10,13H2,(H,14,15).
What are the key properties of 8-amino-N-(oxolan-3-yloxy)octanamide?
8-amino-N-(oxolan-3-yloxy)octanamide has a molecular weight of 244.33 g/mol, XLogP of 1.12, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-N-(oxolan-3-yloxy)octanamide is sourced from PubChem (CID 89167613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).