2-(azetidin-3-ylidene)-N-[2-(2-hydroxyethyl)pentyl]propanamide

C13H24N2O2 — CID 106116770

IUPAC2-(azetidin-3-ylidene)-N-[2-(2-hydroxyethyl)pentyl]propanamide
SMILESCCCC(CCO)CNC(=O)C(C)=C1CNC1
InChIInChI=1S/C13H24N2O2/c1-3-4-11(5-6-16)7-15-13(17)10(2)12-8-14-9-12/h11,14,16H,3-9H2,1-2H3,(H,15,17)
InChIKeyWQLVYBGCEIZKTO-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.82
Rot. Bonds7

About 2-(azetidin-3-ylidene)-N-[2-(2-hydroxyethyl)pentyl]propanamide

2-(azetidin-3-ylidene)-N-[2-(2-hydroxyethyl)pentyl]propanamide (PubChem CID 106116770) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-[2-(2-hydroxyethyl)pentyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-[2-(2-hydroxyethyl)pentyl]propanamide
PubChem CID106116770
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-(azetidin-3-ylidene)-N-[2-(2-hydroxyethyl)pentyl]propanamide
SMILESCCCC(CCO)CNC(=O)C(C)=C1CNC1
InChIInChI=1S/C13H24N2O2/c1-3-4-11(5-6-16)7-15-13(17)10(2)12-8-14-9-12/h11,14,16H,3-9H2,1-2H3,(H,15,17)
InChIKeyWQLVYBGCEIZKTO-UHFFFAOYSA-N
XLogP0.82
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
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

N-[2-(2-hydroxyethyl)pentyl]-3-methylbut-2-enamide
CID 103772022
2-(azetidin-3-yl)-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 103950395
N-[2-(2-hydroxyethyl)pentyl]azetidine-3-carboxamide
CID 104437895
(3S)-3-[[2-(azetidin-3-ylidene)propanoylamino]methyl]-5-methylhexanoic acid
CID 104892314
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-[(4-hydroxycyclohexyl)methyl]propanamide
CID 106135556
2-(azetidin-3-ylidene)-N-(5-hydroxy-2,2-dimethylpentyl)propanamide
CID 106148177
2-(azetidin-3-ylidene)-N-(5-hydroxy-4-methylpentyl)propanamide
CID 106161259
2-(azetidin-3-ylidene)-N-(3-ethyl-2-hydroxypentyl)propanamide
CID 106286517
2-(azetidin-3-ylidene)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
CID 106349771
2-(azetidin-3-ylidene)-N-[2-(hydroxymethyl)cyclopentyl]propanamide
CID 106361275

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-[2-(2-hydroxyethyl)pentyl]propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-[2-(2-hydroxyethyl)pentyl]propanamide (CID 106116770) is 2-(azetidin-3-ylidene)-N-[2-(2-hydroxyethyl)pentyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-[2-(2-hydroxyethyl)pentyl]propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-[2-(2-hydroxyethyl)pentyl]propanamide is CCCC(CCO)CNC(=O)C(C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-[2-(2-hydroxyethyl)pentyl]propanamide?
The InChIKey is WQLVYBGCEIZKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-4-11(5-6-16)7-15-13(17)10(2)12-8-14-9-12/h11,14,16H,3-9H2,1-2H3,(H,15,17).
What are the key properties of 2-(azetidin-3-ylidene)-N-[2-(2-hydroxyethyl)pentyl]propanamide?
2-(azetidin-3-ylidene)-N-[2-(2-hydroxyethyl)pentyl]propanamide has a molecular weight of 240.35 g/mol, XLogP of 0.82, 7 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-(2-hydroxyethyl)pentyl]propanamide is sourced from PubChem (CID 106116770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).