2-(azetidin-3-yl)-N-(5-methylhexyl)propanamide

C13H26N2O — CID 116678618

IUPAC2-(azetidin-3-yl)-N-(5-methylhexyl)propanamide
SMILESCC(C)CCCCNC(=O)C(C)C1CNC1
InChIInChI=1S/C13H26N2O/c1-10(2)6-4-5-7-15-13(16)11(3)12-8-14-9-12/h10-12,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyADZGFKHRRHMURY-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.78
Rot. Bonds7

About 2-(azetidin-3-yl)-N-(5-methylhexyl)propanamide

2-(azetidin-3-yl)-N-(5-methylhexyl)propanamide (PubChem CID 116678618) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(5-methylhexyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(5-methylhexyl)propanamide
PubChem CID116678618
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-(azetidin-3-yl)-N-(5-methylhexyl)propanamide
SMILESCC(C)CCCCNC(=O)C(C)C1CNC1
InChIInChI=1S/C13H26N2O/c1-10(2)6-4-5-7-15-13(16)11(3)12-8-14-9-12/h10-12,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyADZGFKHRRHMURY-UHFFFAOYSA-N
XLogP1.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.78
H-Bond Donors ≤ 52
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 2-(azetidin-3-yl)-N-(5-methylhexyl)propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(5-methylhexyl)propanamide (CID 116678618) is 2-(azetidin-3-yl)-N-(5-methylhexyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(5-methylhexyl)propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(5-methylhexyl)propanamide is CC(C)CCCCNC(=O)C(C)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-(5-methylhexyl)propanamide?
The InChIKey is ADZGFKHRRHMURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10(2)6-4-5-7-15-13(16)11(3)12-8-14-9-12/h10-12,14H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 2-(azetidin-3-yl)-N-(5-methylhexyl)propanamide?
2-(azetidin-3-yl)-N-(5-methylhexyl)propanamide has a molecular weight of 226.36 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-(5-methylhexyl)propanamide is sourced from PubChem (CID 116678618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).