2-(azetidin-3-ylidene)-N-(4-hydroxy-2-methylbutyl)propanamide

C11H20N2O2 — CID 116678289

IUPAC2-(azetidin-3-ylidene)-N-(4-hydroxy-2-methylbutyl)propanamide
SMILESCC(C(=O)NCC(C)CCO)=C1CNC1
InChIInChI=1S/C11H20N2O2/c1-8(3-4-14)5-13-11(15)9(2)10-6-12-7-10/h8,12,14H,3-7H2,1-2H3,(H,13,15)
InChIKeyVXWZGVKJPOYKEP-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.04
Rot. Bonds5

About 2-(azetidin-3-ylidene)-N-(4-hydroxy-2-methylbutyl)propanamide

2-(azetidin-3-ylidene)-N-(4-hydroxy-2-methylbutyl)propanamide (PubChem CID 116678289) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(4-hydroxy-2-methylbutyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(4-hydroxy-2-methylbutyl)propanamide
PubChem CID116678289
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-(azetidin-3-ylidene)-N-(4-hydroxy-2-methylbutyl)propanamide
SMILESCC(C(=O)NCC(C)CCO)=C1CNC1
InChIInChI=1S/C11H20N2O2/c1-8(3-4-14)5-13-11(15)9(2)10-6-12-7-10/h8,12,14H,3-7H2,1-2H3,(H,13,15)
InChIKeyVXWZGVKJPOYKEP-UHFFFAOYSA-N
XLogP0.04
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 ≤ 50.04
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-(4-hydroxy-2-methylbutyl)-3-methylbut-2-enamide
CID 112362277
N-[[3-(2-hydroxyethyl)oxetan-3-yl]methyl]-2,3-dimethylbut-2-enamide
CID 123171798
N-(4-hydroxybutyl)-2,3-dimethylbut-2-enamide
CID 176894503
2-(azetidin-3-yl)-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66091123
N-(4-hydroxy-2-methylbutyl)azetidine-3-carboxamide
CID 66091128
N-(4-hydroxy-2-methylbutyl)-3-methylbut-2-enamide
CID 66109070
2-(azetidin-3-ylidene)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide
CID 104892322
2-(azetidin-3-ylidene)-N-[2-(2-hydroxyethyl)pentyl]propanamide
CID 106116770
2-(azetidin-3-ylidene)-N-(4-hydroxypentyl)propanamide
CID 106134571
2-(azetidin-3-ylidene)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
CID 106147919
2-(azetidin-3-ylidene)-N-(5-hydroxy-4-methylpentyl)propanamide
CID 106161259
2-(azetidin-3-ylidene)-N-(3-hydroxy-4-methoxybutyl)propanamide
CID 106247430

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(4-hydroxy-2-methylbutyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(4-hydroxy-2-methylbutyl)propanamide (CID 116678289) is 2-(azetidin-3-ylidene)-N-(4-hydroxy-2-methylbutyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(4-hydroxy-2-methylbutyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(4-hydroxy-2-methylbutyl)propanamide is CC(C(=O)NCC(C)CCO)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(4-hydroxy-2-methylbutyl)propanamide?
The InChIKey is VXWZGVKJPOYKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-8(3-4-14)5-13-11(15)9(2)10-6-12-7-10/h8,12,14H,3-7H2,1-2H3,(H,13,15).
What are the key properties of 2-(azetidin-3-ylidene)-N-(4-hydroxy-2-methylbutyl)propanamide?
2-(azetidin-3-ylidene)-N-(4-hydroxy-2-methylbutyl)propanamide has a molecular weight of 212.29 g/mol, XLogP of 0.04, 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-(4-hydroxy-2-methylbutyl)propanamide is sourced from PubChem (CID 116678289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).