2-(azetidin-3-ylidene)-N-(4-methylcyclohexyl)propanamide

C13H22N2O — CID 104963381

IUPAC2-(azetidin-3-ylidene)-N-(4-methylcyclohexyl)propanamide
SMILESCC(C(=O)NC1CCC(C)CC1)=C1CNC1
InChIInChI=1S/C13H22N2O/c1-9-3-5-12(6-4-9)15-13(16)10(2)11-7-14-8-11/h9,12,14H,3-8H2,1-2H3,(H,15,16)
InChIKeyNOXPQMRFJSHARW-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.60
Rot. Bonds2

About 2-(azetidin-3-ylidene)-N-(4-methylcyclohexyl)propanamide

2-(azetidin-3-ylidene)-N-(4-methylcyclohexyl)propanamide (PubChem CID 104963381) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(4-methylcyclohexyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(4-methylcyclohexyl)propanamide
PubChem CID104963381
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-(azetidin-3-ylidene)-N-(4-methylcyclohexyl)propanamide
SMILESCC(C(=O)NC1CCC(C)CC1)=C1CNC1
InChIInChI=1S/C13H22N2O/c1-9-3-5-12(6-4-9)15-13(16)10(2)11-7-14-8-11/h9,12,14H,3-8H2,1-2H3,(H,15,16)
InChIKeyNOXPQMRFJSHARW-UHFFFAOYSA-N
XLogP1.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(azetidin-3-ylidene)-N-(4-methylcyclohexyl)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-(4-methylcyclohexyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(4-methylcyclohexyl)propanamide (CID 104963381) is 2-(azetidin-3-ylidene)-N-(4-methylcyclohexyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(4-methylcyclohexyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(4-methylcyclohexyl)propanamide is CC(C(=O)NC1CCC(C)CC1)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(4-methylcyclohexyl)propanamide?
The InChIKey is NOXPQMRFJSHARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-9-3-5-12(6-4-9)15-13(16)10(2)11-7-14-8-11/h9,12,14H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 2-(azetidin-3-ylidene)-N-(4-methylcyclohexyl)propanamide?
2-(azetidin-3-ylidene)-N-(4-methylcyclohexyl)propanamide has a molecular weight of 222.33 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-(4-methylcyclohexyl)propanamide is sourced from PubChem (CID 104963381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).