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

C11H20N2O2 — CID 106134571

IUPAC2-(azetidin-3-ylidene)-N-(4-hydroxypentyl)propanamide
SMILESCC(C(=O)NCCCC(C)O)=C1CNC1
InChIInChI=1S/C11H20N2O2/c1-8(14)4-3-5-13-11(15)9(2)10-6-12-7-10/h8,12,14H,3-7H2,1-2H3,(H,13,15)
InChIKeyRPFZEPCWANNVLN-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.18
Rot. Bonds5

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

2-(azetidin-3-ylidene)-N-(4-hydroxypentyl)propanamide (PubChem CID 106134571) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(4-hydroxypentyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(4-hydroxypentyl)propanamide
PubChem CID106134571
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-(azetidin-3-ylidene)-N-(4-hydroxypentyl)propanamide
SMILESCC(C(=O)NCCCC(C)O)=C1CNC1
InChIInChI=1S/C11H20N2O2/c1-8(14)4-3-5-13-11(15)9(2)10-6-12-7-10/h8,12,14H,3-7H2,1-2H3,(H,13,15)
InChIKeyRPFZEPCWANNVLN-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-hydroxybutyl)-2,3-dimethylbut-2-enamide
CID 176894503
N-[(3-hydroxycyclobutyl)methyl]-3-methylbut-2-enamide
CID 66007336
2-(Azetidin-3-ylidene)-1-(3-hydroxy-4-methylpiperidin-1-yl)propan-1-one
CID 102957289
2-(azetidin-3-ylidene)-N-(4-hydroxycyclohexyl)propanamide
CID 104966712
2-(azetidin-3-ylidene)-N-[2-(2-hydroxyethyl)pentyl]propanamide
CID 106116770
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
2-(azetidin-3-ylidene)-N-(3-ethyl-2-hydroxypentyl)propanamide
CID 106286517
2-(Azetidin-3-ylidene)-1-[4-(1-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 106835788
2-(azetidin-3-ylidene)-N-(4-hydroxybutyl)propanamide
CID 106842171
2-(azetidin-3-ylidene)-N-(2-hydroxy-4,4-dimethylpentyl)propanamide
CID 107152794

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(4-hydroxypentyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(4-hydroxypentyl)propanamide (CID 106134571) is 2-(azetidin-3-ylidene)-N-(4-hydroxypentyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(4-hydroxypentyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(4-hydroxypentyl)propanamide is CC(C(=O)NCCCC(C)O)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(4-hydroxypentyl)propanamide?
The InChIKey is RPFZEPCWANNVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-8(14)4-3-5-13-11(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-hydroxypentyl)propanamide?
2-(azetidin-3-ylidene)-N-(4-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-(4-hydroxypentyl)propanamide is sourced from PubChem (CID 106134571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).