2-(azetidin-3-ylidene)-N-(4-hydroxybutyl)propanamide

C10H18N2O2 — CID 106842171

IUPAC2-(azetidin-3-ylidene)-N-(4-hydroxybutyl)propanamide
SMILESCC(C(=O)NCCCCO)=C1CNC1
InChIInChI=1S/C10H18N2O2/c1-8(9-6-11-7-9)10(14)12-4-2-3-5-13/h11,13H,2-7H2,1H3,(H,12,14)
InChIKeyQTCOLEZXGBUXTP-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.21
Rot. Bonds5

About 2-(azetidin-3-ylidene)-N-(4-hydroxybutyl)propanamide

2-(azetidin-3-ylidene)-N-(4-hydroxybutyl)propanamide (PubChem CID 106842171) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(4-hydroxybutyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(4-hydroxybutyl)propanamide
PubChem CID106842171
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-(azetidin-3-ylidene)-N-(4-hydroxybutyl)propanamide
SMILESCC(C(=O)NCCCCO)=C1CNC1
InChIInChI=1S/C10H18N2O2/c1-8(9-6-11-7-9)10(14)12-4-2-3-5-13/h11,13H,2-7H2,1H3,(H,12,14)
InChIKeyQTCOLEZXGBUXTP-UHFFFAOYSA-N
XLogP-0.21
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-methylbut-2-enamide
CID 141245316
(E)-N-(4-hydroxybutyl)-2-methylbut-2-enamide
CID 156236869
N-(3-hydroxypropyl)-2,3-dimethylbut-2-enamide
CID 176894502
N-(4-hydroxybutyl)-2,3-dimethylbut-2-enamide
CID 176894503
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-hydroxybutyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(4-hydroxybutyl)propanamide (CID 106842171) is 2-(azetidin-3-ylidene)-N-(4-hydroxybutyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(4-hydroxybutyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(4-hydroxybutyl)propanamide is CC(C(=O)NCCCCO)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(4-hydroxybutyl)propanamide?
The InChIKey is QTCOLEZXGBUXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-8(9-6-11-7-9)10(14)12-4-2-3-5-13/h11,13H,2-7H2,1H3,(H,12,14).
What are the key properties of 2-(azetidin-3-ylidene)-N-(4-hydroxybutyl)propanamide?
2-(azetidin-3-ylidene)-N-(4-hydroxybutyl)propanamide has a molecular weight of 198.27 g/mol, XLogP of -0.21, 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-hydroxybutyl)propanamide is sourced from PubChem (CID 106842171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).