2-(azetidin-3-ylidene)-N-[2-(diethylamino)ethyl]propanamide

C12H23N3O — CID 116674274

IUPAC2-(azetidin-3-ylidene)-N-[2-(diethylamino)ethyl]propanamide
SMILESCCN(CC)CCNC(=O)C(C)=C1CNC1
InChIInChI=1S/C12H23N3O/c1-4-15(5-2)7-6-14-12(16)10(3)11-8-13-9-11/h13H,4-9H2,1-3H3,(H,14,16)
InChIKeyLEAPNEWSYKQDDI-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.36
Rot. Bonds6

About 2-(azetidin-3-ylidene)-N-[2-(diethylamino)ethyl]propanamide

2-(azetidin-3-ylidene)-N-[2-(diethylamino)ethyl]propanamide (PubChem CID 116674274) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-[2-(diethylamino)ethyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-[2-(diethylamino)ethyl]propanamide
PubChem CID116674274
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-(azetidin-3-ylidene)-N-[2-(diethylamino)ethyl]propanamide
SMILESCCN(CC)CCNC(=O)C(C)=C1CNC1
InChIInChI=1S/C12H23N3O/c1-4-15(5-2)7-6-14-12(16)10(3)11-8-13-9-11/h13H,4-9H2,1-3H3,(H,14,16)
InChIKeyLEAPNEWSYKQDDI-UHFFFAOYSA-N
XLogP0.36
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(azetidin-3-ylidene)-N-[2-(diethylamino)ethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(azetidin-3-ylidene)-N-(3-hydroxybutyl)propanamide
CID 116678145
2-(azetidin-3-ylidene)-N-[3-(methylamino)-3-oxopropyl]propanamide
CID 116677546
2-(azetidin-3-ylidene)-N-(2-cyanoethyl)propanamide
CID 116674760
2-(azetidin-3-ylidene)-N-(2-sulfamoylethyl)propanamide
CID 116674896
2-(azetidin-3-ylidene)-N-(4,4,4-trifluorobutyl)propanamide
CID 116678663
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(azetidin-3-ylidene)propanamide
CID 106236627
2-(azetidin-3-ylidene)-N-(2-ethylbutyl)propanamide
CID 116679121
2-(azetidin-3-ylidene)-N-prop-2-ynylpropanamide
CID 116674617
1-[2-[2-(azetidin-3-ylidene)propanoylamino]ethyl]imidazole-4-carboxylic acid
CID 107500546
2-(azetidin-3-ylidene)-N-[2-(3-methylbutoxy)ethyl]propanamide
CID 116677558
2-(azetidin-3-ylidene)-N-(3-ethylpentan-3-yl)propanamide
CID 116678158
2-[2-[2-(azetidin-3-ylidene)propanoylamino]ethyl]benzoic acid
CID 116678028

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-[2-(diethylamino)ethyl]propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-[2-(diethylamino)ethyl]propanamide (CID 116674274) is 2-(azetidin-3-ylidene)-N-[2-(diethylamino)ethyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-[2-(diethylamino)ethyl]propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-[2-(diethylamino)ethyl]propanamide is CCN(CC)CCNC(=O)C(C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-[2-(diethylamino)ethyl]propanamide?
The InChIKey is LEAPNEWSYKQDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-4-15(5-2)7-6-14-12(16)10(3)11-8-13-9-11/h13H,4-9H2,1-3H3,(H,14,16).
What are the key properties of 2-(azetidin-3-ylidene)-N-[2-(diethylamino)ethyl]propanamide?
2-(azetidin-3-ylidene)-N-[2-(diethylamino)ethyl]propanamide has a molecular weight of 225.34 g/mol, XLogP of 0.36, 6 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-(diethylamino)ethyl]propanamide is sourced from PubChem (CID 116674274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).