2-(azetidin-3-ylidene)-N-(6-hydroxyhexyl)propanamide

C12H22N2O2 — CID 107842467

IUPAC2-(azetidin-3-ylidene)-N-(6-hydroxyhexyl)propanamide
SMILESCC(C(=O)NCCCCCCO)=C1CNC1
InChIInChI=1S/C12H22N2O2/c1-10(11-8-13-9-11)12(16)14-6-4-2-3-5-7-15/h13,15H,2-9H2,1H3,(H,14,16)
InChIKeyLROJMYYZSJMSJQ-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.57
Rot. Bonds7

About 2-(azetidin-3-ylidene)-N-(6-hydroxyhexyl)propanamide

2-(azetidin-3-ylidene)-N-(6-hydroxyhexyl)propanamide (PubChem CID 107842467) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(6-hydroxyhexyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(6-hydroxyhexyl)propanamide
PubChem CID107842467
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-(azetidin-3-ylidene)-N-(6-hydroxyhexyl)propanamide
SMILESCC(C(=O)NCCCCCCO)=C1CNC1
InChIInChI=1S/C12H22N2O2/c1-10(11-8-13-9-11)12(16)14-6-4-2-3-5-7-15/h13,15H,2-9H2,1H3,(H,14,16)
InChIKeyLROJMYYZSJMSJQ-UHFFFAOYSA-N
XLogP0.57
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(azetidin-3-ylidene)-N-(6-hydroxyhexyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(6-hydroxyhexyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(6-hydroxyhexyl)propanamide (CID 107842467) is 2-(azetidin-3-ylidene)-N-(6-hydroxyhexyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(6-hydroxyhexyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(6-hydroxyhexyl)propanamide is CC(C(=O)NCCCCCCO)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(6-hydroxyhexyl)propanamide?
The InChIKey is LROJMYYZSJMSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-10(11-8-13-9-11)12(16)14-6-4-2-3-5-7-15/h13,15H,2-9H2,1H3,(H,14,16).
What are the key properties of 2-(azetidin-3-ylidene)-N-(6-hydroxyhexyl)propanamide?
2-(azetidin-3-ylidene)-N-(6-hydroxyhexyl)propanamide has a molecular weight of 226.32 g/mol, XLogP of 0.57, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-(6-hydroxyhexyl)propanamide is sourced from PubChem (CID 107842467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).