2-(azetidin-3-ylidene)-N-[2-ethyl-2-(hydroxymethyl)butyl]propanamide

C13H24N2O2 — CID 106255464

IUPAC2-(azetidin-3-ylidene)-N-[2-ethyl-2-(hydroxymethyl)butyl]propanamide
SMILESCCC(CC)(CO)CNC(=O)C(C)=C1CNC1
InChIInChI=1S/C13H24N2O2/c1-4-13(5-2,9-16)8-15-12(17)10(3)11-6-14-7-11/h14,16H,4-9H2,1-3H3,(H,15,17)
InChIKeyDXFQZEHLYGUHJQ-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.82
Rot. Bonds6

About 2-(azetidin-3-ylidene)-N-[2-ethyl-2-(hydroxymethyl)butyl]propanamide

2-(azetidin-3-ylidene)-N-[2-ethyl-2-(hydroxymethyl)butyl]propanamide (PubChem CID 106255464) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-[2-ethyl-2-(hydroxymethyl)butyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-[2-ethyl-2-(hydroxymethyl)butyl]propanamide
PubChem CID106255464
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-(azetidin-3-ylidene)-N-[2-ethyl-2-(hydroxymethyl)butyl]propanamide
SMILESCCC(CC)(CO)CNC(=O)C(C)=C1CNC1
InChIInChI=1S/C13H24N2O2/c1-4-13(5-2,9-16)8-15-12(17)10(3)11-6-14-7-11/h14,16H,4-9H2,1-3H3,(H,15,17)
InChIKeyDXFQZEHLYGUHJQ-UHFFFAOYSA-N
XLogP0.82
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(azetidin-3-ylidene)-N-[2-ethyl-2-(hydroxymethyl)butyl]propanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[[3-(2-hydroxyethyl)oxetan-3-yl]methyl]-2,3-dimethylbut-2-enamide
CID 123171798
N-[2-ethyl-2-(hydroxymethyl)butyl]-3-methylbut-2-enamide
CID 103843734
2-(azetidin-3-ylidene)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
CID 106147919
2-(azetidin-3-ylidene)-N-(5-hydroxy-2,2-dimethylpentyl)propanamide
CID 106148177
2-(azetidin-3-ylidene)-N-(1-hydroxy-3-methylpentan-3-yl)propanamide
CID 106176426
2-(azetidin-3-ylidene)-N-(3-ethyl-2-hydroxypentyl)propanamide
CID 106286517
2-(azetidin-3-ylidene)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
CID 106349771
2-(azetidin-3-ylidene)-N-(4-hydroxybutyl)propanamide
CID 106842171
2-(azetidin-3-ylidene)-N-(2-hydroxy-4,4-dimethylpentyl)propanamide
CID 107152794
2-(azetidin-3-ylidene)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide
CID 113551258
2-[[2-(Azetidin-3-ylidene)propanoylamino]methyl]-2-ethylbutanoic acid
CID 113551259
2-(azetidin-3-ylidene)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide
CID 113551287

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-[2-ethyl-2-(hydroxymethyl)butyl]propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-[2-ethyl-2-(hydroxymethyl)butyl]propanamide (CID 106255464) is 2-(azetidin-3-ylidene)-N-[2-ethyl-2-(hydroxymethyl)butyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-[2-ethyl-2-(hydroxymethyl)butyl]propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-[2-ethyl-2-(hydroxymethyl)butyl]propanamide is CCC(CC)(CO)CNC(=O)C(C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-[2-ethyl-2-(hydroxymethyl)butyl]propanamide?
The InChIKey is DXFQZEHLYGUHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-4-13(5-2,9-16)8-15-12(17)10(3)11-6-14-7-11/h14,16H,4-9H2,1-3H3,(H,15,17).
What are the key properties of 2-(azetidin-3-ylidene)-N-[2-ethyl-2-(hydroxymethyl)butyl]propanamide?
2-(azetidin-3-ylidene)-N-[2-ethyl-2-(hydroxymethyl)butyl]propanamide has a molecular weight of 240.35 g/mol, XLogP of 0.82, 6 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-[2-ethyl-2-(hydroxymethyl)butyl]propanamide is sourced from PubChem (CID 106255464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).