2-(azetidin-3-ylidene)-N-(2-hydroxyethyl)-N-propylpropanamide

C11H20N2O2 — CID 116676397

IUPAC2-(azetidin-3-ylidene)-N-(2-hydroxyethyl)-N-propylpropanamide
SMILESCCCN(CCO)C(=O)C(C)=C1CNC1
InChIInChI=1S/C11H20N2O2/c1-3-4-13(5-6-14)11(15)9(2)10-7-12-8-10/h12,14H,3-8H2,1-2H3
InChIKeyWABSVKWNDGURBJ-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.14
Rot. Bonds5

About 2-(azetidin-3-ylidene)-N-(2-hydroxyethyl)-N-propylpropanamide

2-(azetidin-3-ylidene)-N-(2-hydroxyethyl)-N-propylpropanamide (PubChem CID 116676397) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(2-hydroxyethyl)-N-propylpropanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(2-hydroxyethyl)-N-propylpropanamide
PubChem CID116676397
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-(azetidin-3-ylidene)-N-(2-hydroxyethyl)-N-propylpropanamide
SMILESCCCN(CCO)C(=O)C(C)=C1CNC1
InChIInChI=1S/C11H20N2O2/c1-3-4-13(5-6-14)11(15)9(2)10-7-12-8-10/h12,14H,3-8H2,1-2H3
InChIKeyWABSVKWNDGURBJ-UHFFFAOYSA-N
XLogP0.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.14
H-Bond Donors ≤ 52
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)-N,N-dibutylpropanamide
CID 116674717
2-(azetidin-3-ylidene)-N-(cyclopropylmethyl)-N-propylpropanamide
CID 116674986
2-(azetidin-3-ylidene)-N-ethyl-N-(2-methylbutyl)propanamide
CID 116678391
2-(azetidin-3-ylidene)-N-(cyclopropylmethyl)-N-ethylpropanamide
CID 116677977
2-(azetidin-3-ylidene)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide
CID 116677915
N-butyl-N',N'-bis(2-hydroxyethyl)-N-propyloxamide
CID 108509852
2-(azetidin-3-ylidene)-N-(2-cyanopropyl)-N-ethylpropanamide
CID 116676646
4-ethyl-N-(2-hydroxyethyl)-N-propylpiperidine-4-carboxamide
CID 63128322
N-(2-amino-2-oxoethyl)-2-(azetidin-3-ylidene)-N-methylpropanamide
CID 116674814
2,2-difluoro-N-(2-hydroxyethyl)-N-propylacetamide
CID 103513896
N-(2-hydroxyethyl)-N-propylcyclopropanecarboxamide
CID 60670831
2-(azetidin-3-ylidene)-N-[2-(diethylamino)ethyl]propanamide
CID 116674274

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(2-hydroxyethyl)-N-propylpropanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(2-hydroxyethyl)-N-propylpropanamide (CID 116676397) is 2-(azetidin-3-ylidene)-N-(2-hydroxyethyl)-N-propylpropanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(2-hydroxyethyl)-N-propylpropanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(2-hydroxyethyl)-N-propylpropanamide is CCCN(CCO)C(=O)C(C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(2-hydroxyethyl)-N-propylpropanamide?
The InChIKey is WABSVKWNDGURBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-3-4-13(5-6-14)11(15)9(2)10-7-12-8-10/h12,14H,3-8H2,1-2H3.
What are the key properties of 2-(azetidin-3-ylidene)-N-(2-hydroxyethyl)-N-propylpropanamide?
2-(azetidin-3-ylidene)-N-(2-hydroxyethyl)-N-propylpropanamide has a molecular weight of 212.29 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-(2-hydroxyethyl)-N-propylpropanamide is sourced from PubChem (CID 116676397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).