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

C13H23NO3 — CID 171120639

IUPAC7-methyl-N-(2-oxooxolan-3-yl)octanamide
SMILESCC(C)CCCCCC(=O)NC1CCOC1=O
InChIInChI=1S/C13H23NO3/c1-10(2)6-4-3-5-7-12(15)14-11-8-9-17-13(11)16/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyKUHGURYHJUOXBF-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.02
Rot. Bonds7

About 7-methyl-N-(2-oxooxolan-3-yl)octanamide

7-methyl-N-(2-oxooxolan-3-yl)octanamide (PubChem CID 171120639) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 7-methyl-N-(2-oxooxolan-3-yl)octanamide.

Molecular Properties

Compound Name7-methyl-N-(2-oxooxolan-3-yl)octanamide
PubChem CID171120639
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name7-methyl-N-(2-oxooxolan-3-yl)octanamide
SMILESCC(C)CCCCCC(=O)NC1CCOC1=O
InChIInChI=1S/C13H23NO3/c1-10(2)6-4-3-5-7-12(15)14-11-8-9-17-13(11)16/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyKUHGURYHJUOXBF-UHFFFAOYSA-N
XLogP2.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.02
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 7-methyl-N-(2-oxooxolan-3-yl)octanamide?
The IUPAC name of 7-methyl-N-(2-oxooxolan-3-yl)octanamide (CID 171120639) is 7-methyl-N-(2-oxooxolan-3-yl)octanamide.
What is the SMILES notation for 7-methyl-N-(2-oxooxolan-3-yl)octanamide?
The canonical SMILES for 7-methyl-N-(2-oxooxolan-3-yl)octanamide is CC(C)CCCCCC(=O)NC1CCOC1=O.
What is the InChIKey of 7-methyl-N-(2-oxooxolan-3-yl)octanamide?
The InChIKey is KUHGURYHJUOXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-10(2)6-4-3-5-7-12(15)14-11-8-9-17-13(11)16/h10-11H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 7-methyl-N-(2-oxooxolan-3-yl)octanamide?
7-methyl-N-(2-oxooxolan-3-yl)octanamide has a molecular weight of 241.33 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(2-oxooxolan-3-yl)octanamide is sourced from PubChem (CID 171120639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).