2-(azetidin-3-ylidene)-N-(5-hydroxypentyl)-N-methylpropanamide

C12H22N2O2 — CID 107199201

IUPAC2-(azetidin-3-ylidene)-N-(5-hydroxypentyl)-N-methylpropanamide
SMILESCC(C(=O)N(C)CCCCCO)=C1CNC1
InChIInChI=1S/C12H22N2O2/c1-10(11-8-13-9-11)12(16)14(2)6-4-3-5-7-15/h13,15H,3-9H2,1-2H3
InChIKeyZTXGWFOOLHVVOD-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.53
Rot. Bonds6

About 2-(azetidin-3-ylidene)-N-(5-hydroxypentyl)-N-methylpropanamide

2-(azetidin-3-ylidene)-N-(5-hydroxypentyl)-N-methylpropanamide (PubChem CID 107199201) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(5-hydroxypentyl)-N-methylpropanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(5-hydroxypentyl)-N-methylpropanamide
PubChem CID107199201
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-(azetidin-3-ylidene)-N-(5-hydroxypentyl)-N-methylpropanamide
SMILESCC(C(=O)N(C)CCCCCO)=C1CNC1
InChIInChI=1S/C12H22N2O2/c1-10(11-8-13-9-11)12(16)14(2)6-4-3-5-7-15/h13,15H,3-9H2,1-2H3
InChIKeyZTXGWFOOLHVVOD-UHFFFAOYSA-N
XLogP0.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.53
H-Bond Donors ≤ 52
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-(5-hydroxypentyl)-N-methylpropanamide 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-(5-hydroxypentyl)-N-methylpropanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(5-hydroxypentyl)-N-methylpropanamide (CID 107199201) is 2-(azetidin-3-ylidene)-N-(5-hydroxypentyl)-N-methylpropanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(5-hydroxypentyl)-N-methylpropanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(5-hydroxypentyl)-N-methylpropanamide is CC(C(=O)N(C)CCCCCO)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(5-hydroxypentyl)-N-methylpropanamide?
The InChIKey is ZTXGWFOOLHVVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-10(11-8-13-9-11)12(16)14(2)6-4-3-5-7-15/h13,15H,3-9H2,1-2H3.
What are the key properties of 2-(azetidin-3-ylidene)-N-(5-hydroxypentyl)-N-methylpropanamide?
2-(azetidin-3-ylidene)-N-(5-hydroxypentyl)-N-methylpropanamide has a molecular weight of 226.32 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-(5-hydroxypentyl)-N-methylpropanamide is sourced from PubChem (CID 107199201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).