2-(azetidin-3-ylidene)-N-[(3-methoxyphenyl)methyl]-N-methylpropanamide

C15H20N2O2 — CID 116676098

IUPAC2-(azetidin-3-ylidene)-N-[(3-methoxyphenyl)methyl]-N-methylpropanamide
SMILESCOc1cccc(CN(C)C(=O)C(C)=C2CNC2)c1
InChIInChI=1S/C15H20N2O2/c1-11(13-8-16-9-13)15(18)17(2)10-12-5-4-6-14(7-12)19-3/h4-7,16H,8-10H2,1-3H3
InChIKeyYKWRFWBUWSYYKU-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.57
Rot. Bonds4

About 2-(azetidin-3-ylidene)-N-[(3-methoxyphenyl)methyl]-N-methylpropanamide

2-(azetidin-3-ylidene)-N-[(3-methoxyphenyl)methyl]-N-methylpropanamide (PubChem CID 116676098) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-[(3-methoxyphenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-[(3-methoxyphenyl)methyl]-N-methylpropanamide
PubChem CID116676098
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-(azetidin-3-ylidene)-N-[(3-methoxyphenyl)methyl]-N-methylpropanamide
SMILESCOc1cccc(CN(C)C(=O)C(C)=C2CNC2)c1
InChIInChI=1S/C15H20N2O2/c1-11(13-8-16-9-13)15(18)17(2)10-12-5-4-6-14(7-12)19-3/h4-7,16H,8-10H2,1-3H3
InChIKeyYKWRFWBUWSYYKU-UHFFFAOYSA-N
XLogP1.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(azetidin-3-ylidene)-N-[(3-methoxyphenyl)methyl]-N-methylpropanamide 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

N-[(3-methoxyphenyl)methyl]-N-methylcyclopropanecarboxamide
CID 60630648
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
ethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate
CID 60636271
2-amino-N-[(3-methoxyphenyl)methyl]-N-methylbutanamide
CID 54869166
4-[(3-methoxyphenyl)methyl-methylamino]butan-2-one
CID 60648128
(2R)-2-amino-N-[(3-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide
CID 103929069
2-(4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 78762272
(2S)-2-amino-N-[(3-methoxyphenyl)methyl]-N-methylpentanamide
CID 93367197
cis-(1S,2R)-2-[(3-methoxyphenyl)methyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 93376998
2,5-dibromo-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 114371373
N-[2-(3-methoxyphenyl)ethyl]-N-methylacetamide
CID 115191366
dimethylamino-[(3-methoxyphenyl)methyl]carbamic acid
CID 90758333

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-[(3-methoxyphenyl)methyl]-N-methylpropanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-[(3-methoxyphenyl)methyl]-N-methylpropanamide (CID 116676098) is 2-(azetidin-3-ylidene)-N-[(3-methoxyphenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-[(3-methoxyphenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-[(3-methoxyphenyl)methyl]-N-methylpropanamide is COc1cccc(CN(C)C(=O)C(C)=C2CNC2)c1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-[(3-methoxyphenyl)methyl]-N-methylpropanamide?
The InChIKey is YKWRFWBUWSYYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11(13-8-16-9-13)15(18)17(2)10-12-5-4-6-14(7-12)19-3/h4-7,16H,8-10H2,1-3H3.
What are the key properties of 2-(azetidin-3-ylidene)-N-[(3-methoxyphenyl)methyl]-N-methylpropanamide?
2-(azetidin-3-ylidene)-N-[(3-methoxyphenyl)methyl]-N-methylpropanamide has a molecular weight of 260.34 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-[(3-methoxyphenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 116676098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).