N-(2-oxooxolan-3-yl)octanamide

C12H21NO3 — CID 3474204

IUPACN-(2-oxooxolan-3-yl)octanamide
SMILESCCCCCCCC(=O)NC1CCOC1=O
InChIInChI=1S/C12H21NO3/c1-2-3-4-5-6-7-11(14)13-10-8-9-16-12(10)15/h10H,2-9H2,1H3,(H,13,14)
InChIKeyJKEJEOJPJVRHMQ-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.78
Rot. Bonds7

About N-(2-oxooxolan-3-yl)octanamide

N-(2-oxooxolan-3-yl)octanamide (PubChem CID 3474204) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is N-(2-oxooxolan-3-yl)octanamide.

Molecular Properties

Compound NameN-(2-oxooxolan-3-yl)octanamide
PubChem CID3474204
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC NameN-(2-oxooxolan-3-yl)octanamide
SMILESCCCCCCCC(=O)NC1CCOC1=O
InChIInChI=1S/C12H21NO3/c1-2-3-4-5-6-7-11(14)13-10-8-9-16-12(10)15/h10H,2-9H2,1H3,(H,13,14)
InChIKeyJKEJEOJPJVRHMQ-UHFFFAOYSA-N
XLogP1.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
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-(2-oxooxolan-3-yl)octanamide?
The IUPAC name of N-(2-oxooxolan-3-yl)octanamide (CID 3474204) is N-(2-oxooxolan-3-yl)octanamide.
What is the SMILES notation for N-(2-oxooxolan-3-yl)octanamide?
The canonical SMILES for N-(2-oxooxolan-3-yl)octanamide is CCCCCCCC(=O)NC1CCOC1=O.
What is the InChIKey of N-(2-oxooxolan-3-yl)octanamide?
The InChIKey is JKEJEOJPJVRHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-2-3-4-5-6-7-11(14)13-10-8-9-16-12(10)15/h10H,2-9H2,1H3,(H,13,14).
What are the key properties of N-(2-oxooxolan-3-yl)octanamide?
N-(2-oxooxolan-3-yl)octanamide has a molecular weight of 227.30 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxooxolan-3-yl)octanamide is sourced from PubChem (CID 3474204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).