2-(azetidin-3-ylidene)-N-(4-methoxy-2,2-dimethylbutyl)propanamide

C13H24N2O2 — CID 114125125

IUPAC2-(azetidin-3-ylidene)-N-(4-methoxy-2,2-dimethylbutyl)propanamide
SMILESCOCCC(C)(C)CNC(=O)C(C)=C1CNC1
InChIInChI=1S/C13H24N2O2/c1-10(11-7-14-8-11)12(16)15-9-13(2,3)5-6-17-4/h14H,5-9H2,1-4H3,(H,15,16)
InChIKeySHKYHSGCQHOHSR-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.09
Rot. Bonds6

About 2-(azetidin-3-ylidene)-N-(4-methoxy-2,2-dimethylbutyl)propanamide

2-(azetidin-3-ylidene)-N-(4-methoxy-2,2-dimethylbutyl)propanamide (PubChem CID 114125125) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(4-methoxy-2,2-dimethylbutyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(4-methoxy-2,2-dimethylbutyl)propanamide
PubChem CID114125125
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-(azetidin-3-ylidene)-N-(4-methoxy-2,2-dimethylbutyl)propanamide
SMILESCOCCC(C)(C)CNC(=O)C(C)=C1CNC1
InChIInChI=1S/C13H24N2O2/c1-10(11-7-14-8-11)12(16)15-9-13(2,3)5-6-17-4/h14H,5-9H2,1-4H3,(H,15,16)
InChIKeySHKYHSGCQHOHSR-UHFFFAOYSA-N
XLogP1.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(azetidin-3-ylidene)-N-(4-methoxy-2,2-dimethylbutyl)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-methoxy-2,2-dimethylbutyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(4-methoxy-2,2-dimethylbutyl)propanamide (CID 114125125) is 2-(azetidin-3-ylidene)-N-(4-methoxy-2,2-dimethylbutyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(4-methoxy-2,2-dimethylbutyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(4-methoxy-2,2-dimethylbutyl)propanamide is COCCC(C)(C)CNC(=O)C(C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(4-methoxy-2,2-dimethylbutyl)propanamide?
The InChIKey is SHKYHSGCQHOHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10(11-7-14-8-11)12(16)15-9-13(2,3)5-6-17-4/h14H,5-9H2,1-4H3,(H,15,16).
What are the key properties of 2-(azetidin-3-ylidene)-N-(4-methoxy-2,2-dimethylbutyl)propanamide?
2-(azetidin-3-ylidene)-N-(4-methoxy-2,2-dimethylbutyl)propanamide has a molecular weight of 240.35 g/mol, XLogP of 1.09, 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-(4-methoxy-2,2-dimethylbutyl)propanamide is sourced from PubChem (CID 114125125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).