2-(azetidin-3-ylidene)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide

C12H22N2O2 — CID 106147919

IUPAC2-(azetidin-3-ylidene)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
SMILESCC(C(=O)NCC(C)(C)CCO)=C1CNC1
InChIInChI=1S/C12H22N2O2/c1-9(10-6-13-7-10)11(16)14-8-12(2,3)4-5-15/h13,15H,4-8H2,1-3H3,(H,14,16)
InChIKeyDPPSBEADPLMHPK-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.43
Rot. Bonds5

About 2-(azetidin-3-ylidene)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide

2-(azetidin-3-ylidene)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide (PubChem CID 106147919) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
PubChem CID106147919
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-(azetidin-3-ylidene)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
SMILESCC(C(=O)NCC(C)(C)CCO)=C1CNC1
InChIInChI=1S/C12H22N2O2/c1-9(10-6-13-7-10)11(16)14-8-12(2,3)4-5-15/h13,15H,4-8H2,1-3H3,(H,14,16)
InChIKeyDPPSBEADPLMHPK-UHFFFAOYSA-N
XLogP0.43
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 ≤ 50.43
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-[[3-(2-hydroxyethyl)oxetan-3-yl]methyl]-2,3-dimethylbut-2-enamide
CID 123171798
N-(4-hydroxy-2,2-dimethylbutyl)-2-methylprop-2-enamide
CID 174361729
N-(4-hydroxybutyl)-2,3-dimethylbut-2-enamide
CID 176894503
N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbut-2-enamide
CID 103772974
2-(azetidin-3-ylidene)-N-(4-hydroxypentyl)propanamide
CID 106134571
2-(azetidin-3-ylidene)-N-(5-hydroxy-2,2-dimethylpentyl)propanamide
CID 106148177
2-(azetidin-3-ylidene)-N-[2-ethyl-2-(hydroxymethyl)butyl]propanamide
CID 106255464
2-(azetidin-3-ylidene)-N-(4-hydroxybutyl)propanamide
CID 106842171
2-(azetidin-3-ylidene)-N-(2-hydroxy-4,4-dimethylpentyl)propanamide
CID 107152794
2-(azetidin-3-ylidene)-N-(4-methoxy-2,2-dimethylbutyl)propanamide
CID 114125125
2-(azetidin-3-ylidene)-N-(2-hydroxy-4-methoxy-2-methylbutyl)propanamide
CID 114164653
2-(azetidin-3-ylidene)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide
CID 114176944

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide (CID 106147919) is 2-(azetidin-3-ylidene)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide is CC(C(=O)NCC(C)(C)CCO)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide?
The InChIKey is DPPSBEADPLMHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9(10-6-13-7-10)11(16)14-8-12(2,3)4-5-15/h13,15H,4-8H2,1-3H3,(H,14,16).
What are the key properties of 2-(azetidin-3-ylidene)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide?
2-(azetidin-3-ylidene)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide has a molecular weight of 226.32 g/mol, XLogP of 0.43, 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-hydroxy-2,2-dimethylbutyl)propanamide is sourced from PubChem (CID 106147919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).