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

C13H24N2O2 — CID 107152794

IUPAC2-(azetidin-3-ylidene)-N-(2-hydroxy-4,4-dimethylpentyl)propanamide
SMILESCC(C(=O)NCC(O)CC(C)(C)C)=C1CNC1
InChIInChI=1S/C13H24N2O2/c1-9(10-6-14-7-10)12(17)15-8-11(16)5-13(2,3)4/h11,14,16H,5-8H2,1-4H3,(H,15,17)
InChIKeyDCBPPLVGCSYBQD-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.82
Rot. Bonds4

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

2-(azetidin-3-ylidene)-N-(2-hydroxy-4,4-dimethylpentyl)propanamide (PubChem CID 107152794) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(2-hydroxy-4,4-dimethylpentyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(2-hydroxy-4,4-dimethylpentyl)propanamide
PubChem CID107152794
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-(azetidin-3-ylidene)-N-(2-hydroxy-4,4-dimethylpentyl)propanamide
SMILESCC(C(=O)NCC(O)CC(C)(C)C)=C1CNC1
InChIInChI=1S/C13H24N2O2/c1-9(10-6-14-7-10)12(17)15-8-11(16)5-13(2,3)4/h11,14,16H,5-8H2,1-4H3,(H,15,17)
InChIKeyDCBPPLVGCSYBQD-UHFFFAOYSA-N
XLogP0.82
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(2-hydroxy-4,4-dimethylpentyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(2-hydroxy-4,4-dimethylpentyl)propanamide (CID 107152794) is 2-(azetidin-3-ylidene)-N-(2-hydroxy-4,4-dimethylpentyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(2-hydroxy-4,4-dimethylpentyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(2-hydroxy-4,4-dimethylpentyl)propanamide is CC(C(=O)NCC(O)CC(C)(C)C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(2-hydroxy-4,4-dimethylpentyl)propanamide?
The InChIKey is DCBPPLVGCSYBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-9(10-6-14-7-10)12(17)15-8-11(16)5-13(2,3)4/h11,14,16H,5-8H2,1-4H3,(H,15,17).
What are the key properties of 2-(azetidin-3-ylidene)-N-(2-hydroxy-4,4-dimethylpentyl)propanamide?
2-(azetidin-3-ylidene)-N-(2-hydroxy-4,4-dimethylpentyl)propanamide has a molecular weight of 240.35 g/mol, XLogP of 0.82, 4 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-4,4-dimethylpentyl)propanamide is sourced from PubChem (CID 107152794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).