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

C11H20N2O2 — CID 116679068

IUPAC2-(azetidin-3-ylidene)-N-(2-hydroxypentyl)propanamide
SMILESCCCC(O)CNC(=O)C(C)=C1CNC1
InChIInChI=1S/C11H20N2O2/c1-3-4-10(14)7-13-11(15)8(2)9-5-12-6-9/h10,12,14H,3-7H2,1-2H3,(H,13,15)
InChIKeyIAZAZDZZNZQTSE-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.18
Rot. Bonds5

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

2-(azetidin-3-ylidene)-N-(2-hydroxypentyl)propanamide (PubChem CID 116679068) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(2-hydroxypentyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(2-hydroxypentyl)propanamide
PubChem CID116679068
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-(azetidin-3-ylidene)-N-(2-hydroxypentyl)propanamide
SMILESCCCC(O)CNC(=O)C(C)=C1CNC1
InChIInChI=1S/C11H20N2O2/c1-3-4-10(14)7-13-11(15)8(2)9-5-12-6-9/h10,12,14H,3-7H2,1-2H3,(H,13,15)
InChIKeyIAZAZDZZNZQTSE-UHFFFAOYSA-N
XLogP0.18
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-(2-hydroxy-4-methylpentyl)-3-methylbut-2-enamide
CID 112298267
N-(2-hydroxypentyl)-2-methylprop-2-enamide
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N-(2-hydroxypropyl)-2,3-dimethylbut-2-enamide
CID 123663796
2-(azetidin-3-ylidene)-N-(2-hydroxycyclohexyl)-N-methylpropanamide
CID 102632081
2-(Azetidin-3-ylidene)-1-(3-hydroxy-4-methylpiperidin-1-yl)propan-1-one
CID 102957289
2-(azetidin-3-ylidene)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide
CID 104892322
2-(azetidin-3-ylidene)-N-(4-hydroxypentyl)propanamide
CID 106134571
2-(azetidin-3-ylidene)-N-(5-hydroxy-4-methylpentyl)propanamide
CID 106161259
2-(azetidin-3-ylidene)-N-(3-hydroxy-4-methoxybutyl)propanamide
CID 106247430
2-(azetidin-3-ylidene)-N-(3-ethyl-2-hydroxypentyl)propanamide
CID 106286517
2-(azetidin-3-ylidene)-N-(2-hydroxy-2-methylpentyl)propanamide
CID 106292322
2-(azetidin-3-ylidene)-N-(4-hydroxybutyl)propanamide
CID 106842171

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(2-hydroxypentyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(2-hydroxypentyl)propanamide (CID 116679068) is 2-(azetidin-3-ylidene)-N-(2-hydroxypentyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(2-hydroxypentyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(2-hydroxypentyl)propanamide is CCCC(O)CNC(=O)C(C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(2-hydroxypentyl)propanamide?
The InChIKey is IAZAZDZZNZQTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-3-4-10(14)7-13-11(15)8(2)9-5-12-6-9/h10,12,14H,3-7H2,1-2H3,(H,13,15).
What are the key properties of 2-(azetidin-3-ylidene)-N-(2-hydroxypentyl)propanamide?
2-(azetidin-3-ylidene)-N-(2-hydroxypentyl)propanamide has a molecular weight of 212.29 g/mol, XLogP of 0.18, 5 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-hydroxypentyl)propanamide is sourced from PubChem (CID 116679068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).