2-(azetidin-3-ylidene)-N-(2-ethylbutyl)propanamide

C12H22N2O — CID 116679121

IUPAC2-(azetidin-3-ylidene)-N-(2-ethylbutyl)propanamide
SMILESCCC(CC)CNC(=O)C(C)=C1CNC1
InChIInChI=1S/C12H22N2O/c1-4-10(5-2)6-14-12(15)9(3)11-7-13-8-11/h10,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyQOOZESZTUPPIBK-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.46
Rot. Bonds5

About 2-(azetidin-3-ylidene)-N-(2-ethylbutyl)propanamide

2-(azetidin-3-ylidene)-N-(2-ethylbutyl)propanamide (PubChem CID 116679121) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(2-ethylbutyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(2-ethylbutyl)propanamide
PubChem CID116679121
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-(azetidin-3-ylidene)-N-(2-ethylbutyl)propanamide
SMILESCCC(CC)CNC(=O)C(C)=C1CNC1
InChIInChI=1S/C12H22N2O/c1-4-10(5-2)6-14-12(15)9(3)11-7-13-8-11/h10,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyQOOZESZTUPPIBK-UHFFFAOYSA-N
XLogP1.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(azetidin-3-ylidene)propanoylamino]methyl]pentanoic acid
CID 116678526
2-[[2-(azetidin-3-ylidene)propanoylamino]methyl]butanoic acid
CID 116678180
2-(azetidin-3-ylidene)-N-(2-hydroxypentyl)propanamide
CID 116679068
2-(azetidin-3-ylidene)-N-(2-methyl-3-methylsulfanylpropyl)propanamide
CID 116677985
2-(azetidin-3-ylidene)-N-(2-hydroxy-4-methylpentyl)propanamide
CID 107152926
2-(azetidin-3-ylidene)-N-prop-2-ynylpropanamide
CID 116674617
2-(azetidin-3-ylidene)-N-(3-hydroxybutyl)propanamide
CID 116678145
2-(azetidin-3-ylidene)-N-[2-(diethylamino)ethyl]propanamide
CID 116674274
2-(azetidin-3-ylidene)-N-[3-(ethylamino)-3-oxopropyl]propanamide
CID 116678900
2-(azetidin-3-ylidene)-N-(3-ethylpentan-3-yl)propanamide
CID 116678158
2-(azetidin-3-ylidene)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide
CID 114756668
2-(azetidin-3-ylidene)-N-(2-cyanoethyl)propanamide
CID 116674760

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(2-ethylbutyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(2-ethylbutyl)propanamide (CID 116679121) is 2-(azetidin-3-ylidene)-N-(2-ethylbutyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(2-ethylbutyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(2-ethylbutyl)propanamide is CCC(CC)CNC(=O)C(C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(2-ethylbutyl)propanamide?
The InChIKey is QOOZESZTUPPIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-10(5-2)6-14-12(15)9(3)11-7-13-8-11/h10,13H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 2-(azetidin-3-ylidene)-N-(2-ethylbutyl)propanamide?
2-(azetidin-3-ylidene)-N-(2-ethylbutyl)propanamide has a molecular weight of 210.32 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-(2-ethylbutyl)propanamide is sourced from PubChem (CID 116679121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).