2-(azetidin-3-ylidene)-N-(3,4-dimethoxyphenyl)propanamide

C14H18N2O3 — CID 116674383

IUPAC2-(azetidin-3-ylidene)-N-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)=C2CNC2)cc1OC
InChIInChI=1S/C14H18N2O3/c1-9(10-7-15-8-10)14(17)16-11-4-5-12(18-2)13(6-11)19-3/h4-6,15H,7-8H2,1-3H3,(H,16,17)
InChIKeyFFTOHTOTUWGFRR-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.56
Rot. Bonds4

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

2-(azetidin-3-ylidene)-N-(3,4-dimethoxyphenyl)propanamide (PubChem CID 116674383) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(3,4-dimethoxyphenyl)propanamide
PubChem CID116674383
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-(azetidin-3-ylidene)-N-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)=C2CNC2)cc1OC
InChIInChI=1S/C14H18N2O3/c1-9(10-7-15-8-10)14(17)16-11-4-5-12(18-2)13(6-11)19-3/h4-6,15H,7-8H2,1-3H3,(H,16,17)
InChIKeyFFTOHTOTUWGFRR-UHFFFAOYSA-N
XLogP1.56
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(azetidin-3-ylidene)-N-(3,4-dimethoxyphenyl)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-bromo-4-methoxyphenyl)propanamide
CID 116678229
2-(azetidin-3-ylidene)-N-(3-chloro-4-propoxyphenyl)propanamide
CID 116676040
N'-(3,4-dimethoxyphenyl)-N-phenyloxamide
CID 44999686
N-[4-(2-amino-2-oxoethyl)phenyl]-2-(azetidin-3-ylidene)propanamide
CID 116675629
2-(azetidin-3-ylidene)-N-(4-cyano-2-methoxyphenyl)propanamide
CID 116678968
(3,4-dimethoxyphenyl)urea
CID 21197430
N-(3,4-dimethoxyphenyl)-2-oxo-2-pyrrolidin-2-ylacetamide
CID 178032550
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
1-N',2-N'-bis(3,4-dimethoxyphenyl)ethanedihydrazide
CID 138619994
N-(2-aminoethyl)-N'-(3,4-dimethoxyphenyl)oxamide
CID 43315993
N'-(5-chloro-2-methoxyphenyl)-N-(3,4-dimethoxyphenyl)oxamide
CID 45000696
2-(azetidin-3-ylidene)-N-(4-morpholin-4-ylphenyl)propanamide
CID 116677354

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(3,4-dimethoxyphenyl)propanamide (CID 116674383) is 2-(azetidin-3-ylidene)-N-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(3,4-dimethoxyphenyl)propanamide is COc1ccc(NC(=O)C(C)=C2CNC2)cc1OC.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is FFTOHTOTUWGFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9(10-7-15-8-10)14(17)16-11-4-5-12(18-2)13(6-11)19-3/h4-6,15H,7-8H2,1-3H3,(H,16,17).
What are the key properties of 2-(azetidin-3-ylidene)-N-(3,4-dimethoxyphenyl)propanamide?
2-(azetidin-3-ylidene)-N-(3,4-dimethoxyphenyl)propanamide has a molecular weight of 262.31 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 116674383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).