2-(azetidin-3-ylidene)-N-(2-hydroxy-2-methylpentyl)propanamide

C12H22N2O2 — CID 106292322

IUPAC2-(azetidin-3-ylidene)-N-(2-hydroxy-2-methylpentyl)propanamide
SMILESCCCC(C)(O)CNC(=O)C(C)=C1CNC1
InChIInChI=1S/C12H22N2O2/c1-4-5-12(3,16)8-14-11(15)9(2)10-6-13-7-10/h13,16H,4-8H2,1-3H3,(H,14,15)
InChIKeyYLPJFPNTCOXOSU-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.57
Rot. Bonds5

About 2-(azetidin-3-ylidene)-N-(2-hydroxy-2-methylpentyl)propanamide

2-(azetidin-3-ylidene)-N-(2-hydroxy-2-methylpentyl)propanamide (PubChem CID 106292322) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(2-hydroxy-2-methylpentyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(2-hydroxy-2-methylpentyl)propanamide
PubChem CID106292322
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-(azetidin-3-ylidene)-N-(2-hydroxy-2-methylpentyl)propanamide
SMILESCCCC(C)(O)CNC(=O)C(C)=C1CNC1
InChIInChI=1S/C12H22N2O2/c1-4-5-12(3,16)8-14-11(15)9(2)10-6-13-7-10/h13,16H,4-8H2,1-3H3,(H,14,15)
InChIKeyYLPJFPNTCOXOSU-UHFFFAOYSA-N
XLogP0.57
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.57
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-(Azetidin-3-ylidene)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
CID 103356058
N-(2-hydroxy-2-methylpentyl)-3-methylbut-2-enamide
CID 103713033
2-(azetidin-3-ylidene)-N-[(1-methoxycyclobutyl)methyl]propanamide
CID 105842135
2-(azetidin-3-ylidene)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide
CID 106148420
2-(azetidin-3-ylidene)-N-(3-ethyl-2-hydroxypentyl)propanamide
CID 106286517
2-(azetidin-3-ylidene)-N-(2-hydroxy-4,4-dimethylpentyl)propanamide
CID 107152794
2-(azetidin-3-ylidene)-N-(2-hydroxy-4-methylpentyl)propanamide
CID 107152926
2-(Azetidin-3-ylidene)-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)propan-1-one
CID 107218749
2-(Azetidin-3-ylidene)-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one
CID 107219528
2-(Azetidin-3-ylidene)-1-(3-hydroxy-3-propylazetidin-1-yl)propan-1-one
CID 107219798
2-(Azetidin-3-ylidene)-1-(4-hydroxy-4-methylazepan-1-yl)propan-1-one
CID 107404247
2-(azetidin-3-ylidene)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propanamide
CID 113551129

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(2-hydroxy-2-methylpentyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(2-hydroxy-2-methylpentyl)propanamide (CID 106292322) is 2-(azetidin-3-ylidene)-N-(2-hydroxy-2-methylpentyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(2-hydroxy-2-methylpentyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(2-hydroxy-2-methylpentyl)propanamide is CCCC(C)(O)CNC(=O)C(C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(2-hydroxy-2-methylpentyl)propanamide?
The InChIKey is YLPJFPNTCOXOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-4-5-12(3,16)8-14-11(15)9(2)10-6-13-7-10/h13,16H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 2-(azetidin-3-ylidene)-N-(2-hydroxy-2-methylpentyl)propanamide?
2-(azetidin-3-ylidene)-N-(2-hydroxy-2-methylpentyl)propanamide has a molecular weight of 226.32 g/mol, XLogP of 0.57, 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-(2-hydroxy-2-methylpentyl)propanamide is sourced from PubChem (CID 106292322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).