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

C13H24N2O2 — CID 106286517

IUPAC2-(azetidin-3-ylidene)-N-(3-ethyl-2-hydroxypentyl)propanamide
SMILESCCC(CC)C(O)CNC(=O)C(C)=C1CNC1
InChIInChI=1S/C13H24N2O2/c1-4-10(5-2)12(16)8-15-13(17)9(3)11-6-14-7-11/h10,12,14,16H,4-8H2,1-3H3,(H,15,17)
InChIKeyMPTLNDNHVCAPOT-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.82
Rot. Bonds6

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

2-(azetidin-3-ylidene)-N-(3-ethyl-2-hydroxypentyl)propanamide (PubChem CID 106286517) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(3-ethyl-2-hydroxypentyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(3-ethyl-2-hydroxypentyl)propanamide
PubChem CID106286517
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-(azetidin-3-ylidene)-N-(3-ethyl-2-hydroxypentyl)propanamide
SMILESCCC(CC)C(O)CNC(=O)C(C)=C1CNC1
InChIInChI=1S/C13H24N2O2/c1-4-10(5-2)12(16)8-15-13(17)9(3)11-6-14-7-11/h10,12,14,16H,4-8H2,1-3H3,(H,15,17)
InChIKeyMPTLNDNHVCAPOT-UHFFFAOYSA-N
XLogP0.82
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.82
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
2-(Azetidin-3-ylidene)-1-(3-hydroxy-4-methylpiperidin-1-yl)propan-1-one
CID 102957289
N-(3-ethyl-2-hydroxypentyl)-3-methylbut-2-enamide
CID 103770596
N-(2-hydroxy-4-methylpentyl)-3-methylbut-2-enamide
CID 103771061
2-(azetidin-3-yl)-N-(3-ethyl-2-hydroxypentyl)acetamide
CID 103811113
N-(3-ethyl-2-hydroxypentyl)azetidine-3-carboxamide
CID 104437869
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-[(3-hydroxycyclopentyl)methyl]propanamide
CID 106134055
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-[2-ethyl-2-(hydroxymethyl)butyl]propanamide
CID 106255464

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(3-ethyl-2-hydroxypentyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(3-ethyl-2-hydroxypentyl)propanamide (CID 106286517) is 2-(azetidin-3-ylidene)-N-(3-ethyl-2-hydroxypentyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(3-ethyl-2-hydroxypentyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(3-ethyl-2-hydroxypentyl)propanamide is CCC(CC)C(O)CNC(=O)C(C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(3-ethyl-2-hydroxypentyl)propanamide?
The InChIKey is MPTLNDNHVCAPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-4-10(5-2)12(16)8-15-13(17)9(3)11-6-14-7-11/h10,12,14,16H,4-8H2,1-3H3,(H,15,17).
What are the key properties of 2-(azetidin-3-ylidene)-N-(3-ethyl-2-hydroxypentyl)propanamide?
2-(azetidin-3-ylidene)-N-(3-ethyl-2-hydroxypentyl)propanamide has a molecular weight of 240.35 g/mol, XLogP of 0.82, 6 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-ethyl-2-hydroxypentyl)propanamide is sourced from PubChem (CID 106286517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).