2-(azetidin-3-ylidene)-N-(3-hydroxybutyl)propanamide

C10H18N2O2 — CID 116678145

IUPAC2-(azetidin-3-ylidene)-N-(3-hydroxybutyl)propanamide
SMILESCC(C(=O)NCCC(C)O)=C1CNC1
InChIInChI=1S/C10H18N2O2/c1-7(13)3-4-12-10(14)8(2)9-5-11-6-9/h7,11,13H,3-6H2,1-2H3,(H,12,14)
InChIKeyAWCNOSLIHYHTJX-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.21
Rot. Bonds4

About 2-(azetidin-3-ylidene)-N-(3-hydroxybutyl)propanamide

2-(azetidin-3-ylidene)-N-(3-hydroxybutyl)propanamide (PubChem CID 116678145) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(3-hydroxybutyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(3-hydroxybutyl)propanamide
PubChem CID116678145
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-(azetidin-3-ylidene)-N-(3-hydroxybutyl)propanamide
SMILESCC(C(=O)NCCC(C)O)=C1CNC1
InChIInChI=1S/C10H18N2O2/c1-7(13)3-4-12-10(14)8(2)9-5-11-6-9/h7,11,13H,3-6H2,1-2H3,(H,12,14)
InChIKeyAWCNOSLIHYHTJX-UHFFFAOYSA-N
XLogP-0.21
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.21
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-(3-hydroxybutyl)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

2-(azetidin-3-ylidene)-N-[2-(3-methylbutoxy)ethyl]propanamide
CID 116677558
2-(azetidin-3-ylidene)-N-(2-hydroxypentyl)propanamide
CID 116679068
2-(azetidin-3-ylidene)-N-(2-hydroxy-4-methylpentyl)propanamide
CID 107152926
2-(azetidin-3-ylidene)-N-(2-sulfamoylethyl)propanamide
CID 116674896
2-(azetidin-3-ylidene)-N-(4,4,4-trifluorobutyl)propanamide
CID 116678663
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(azetidin-3-ylidene)propanamide
CID 106236627
2-(azetidin-3-ylidene)-N-(2-ethylbutyl)propanamide
CID 116679121
2-[[2-(azetidin-3-ylidene)propanoylamino]methyl]butanoic acid
CID 116678180
2-(azetidin-3-ylidene)-N-(2-methyl-3-methylsulfanylpropyl)propanamide
CID 116677985
2-(azetidin-3-ylidene)-N-prop-2-ynylpropanamide
CID 116674617
2-(azetidin-3-ylidene)-N-(3-cyclohexyloxypropyl)propanamide
CID 116677186
2-(azetidin-3-ylidene)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide
CID 114756668

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(3-hydroxybutyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(3-hydroxybutyl)propanamide (CID 116678145) is 2-(azetidin-3-ylidene)-N-(3-hydroxybutyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(3-hydroxybutyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(3-hydroxybutyl)propanamide is CC(C(=O)NCCC(C)O)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(3-hydroxybutyl)propanamide?
The InChIKey is AWCNOSLIHYHTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-7(13)3-4-12-10(14)8(2)9-5-11-6-9/h7,11,13H,3-6H2,1-2H3,(H,12,14).
What are the key properties of 2-(azetidin-3-ylidene)-N-(3-hydroxybutyl)propanamide?
2-(azetidin-3-ylidene)-N-(3-hydroxybutyl)propanamide has a molecular weight of 198.27 g/mol, XLogP of -0.21, 4 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-(3-hydroxybutyl)propanamide is sourced from PubChem (CID 116678145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).