2-(azetidin-3-ylidene)-N-(5-hydroxy-2,2-dimethylpentyl)propanamide

C13H24N2O2 — CID 106148177

IUPAC2-(azetidin-3-ylidene)-N-(5-hydroxy-2,2-dimethylpentyl)propanamide
SMILESCC(C(=O)NCC(C)(C)CCCO)=C1CNC1
InChIInChI=1S/C13H24N2O2/c1-10(11-7-14-8-11)12(17)15-9-13(2,3)5-4-6-16/h14,16H,4-9H2,1-3H3,(H,15,17)
InChIKeyGITBFIDHCZEISU-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.82
Rot. Bonds6

About 2-(azetidin-3-ylidene)-N-(5-hydroxy-2,2-dimethylpentyl)propanamide

2-(azetidin-3-ylidene)-N-(5-hydroxy-2,2-dimethylpentyl)propanamide (PubChem CID 106148177) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(5-hydroxy-2,2-dimethylpentyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(5-hydroxy-2,2-dimethylpentyl)propanamide
PubChem CID106148177
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-(azetidin-3-ylidene)-N-(5-hydroxy-2,2-dimethylpentyl)propanamide
SMILESCC(C(=O)NCC(C)(C)CCCO)=C1CNC1
InChIInChI=1S/C13H24N2O2/c1-10(11-7-14-8-11)12(17)15-9-13(2,3)5-4-6-16/h14,16H,4-9H2,1-3H3,(H,15,17)
InChIKeyGITBFIDHCZEISU-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

N-(5-hydroxy-2,2-dimethylpentyl)-3-methylbut-2-enamide
CID 103899591
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-[2-ethyl-2-(hydroxymethyl)butyl]propanamide
CID 106255464
2-(azetidin-3-ylidene)-N-(2-hydroxy-4,4-dimethylpentyl)propanamide
CID 107152794
2-(azetidin-3-ylidene)-N-(5-hydroxypentyl)-N-methylpropanamide
CID 107199201
2-(azetidin-3-ylidene)-N-(5-hydroxypentyl)propanamide
CID 107317735
2-(azetidin-3-ylidene)-N-(6-hydroxyhexyl)propanamide
CID 107842467
2-(azetidin-3-ylidene)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide
CID 113551258
2-(azetidin-3-ylidene)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide
CID 114176944
2-(azetidin-3-ylidene)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide
CID 114629629

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(5-hydroxy-2,2-dimethylpentyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(5-hydroxy-2,2-dimethylpentyl)propanamide (CID 106148177) is 2-(azetidin-3-ylidene)-N-(5-hydroxy-2,2-dimethylpentyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(5-hydroxy-2,2-dimethylpentyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(5-hydroxy-2,2-dimethylpentyl)propanamide is CC(C(=O)NCC(C)(C)CCCO)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(5-hydroxy-2,2-dimethylpentyl)propanamide?
The InChIKey is GITBFIDHCZEISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10(11-7-14-8-11)12(17)15-9-13(2,3)5-4-6-16/h14,16H,4-9H2,1-3H3,(H,15,17).
What are the key properties of 2-(azetidin-3-ylidene)-N-(5-hydroxy-2,2-dimethylpentyl)propanamide?
2-(azetidin-3-ylidene)-N-(5-hydroxy-2,2-dimethylpentyl)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-(5-hydroxy-2,2-dimethylpentyl)propanamide is sourced from PubChem (CID 106148177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).