2-(azetidin-3-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide

C14H20N2O2 — CID 64610785

IUPAC2-(azetidin-3-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccccc1CN(C)C(=O)CC1CNC1
InChIInChI=1S/C14H20N2O2/c1-16(14(17)7-11-8-15-9-11)10-12-5-3-4-6-13(12)18-2/h3-6,11,15H,7-10H2,1-2H3
InChIKeyPMHLAHXTGQHXET-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.26
Rot. Bonds5

About 2-(azetidin-3-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide

2-(azetidin-3-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide (PubChem CID 64610785) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
PubChem CID64610785
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(azetidin-3-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccccc1CN(C)C(=O)CC1CNC1
InChIInChI=1S/C14H20N2O2/c1-16(14(17)7-11-8-15-9-11)10-12-5-3-4-6-13(12)18-2/h3-6,11,15H,7-10H2,1-2H3
InChIKeyPMHLAHXTGQHXET-UHFFFAOYSA-N
XLogP1.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide (CID 64610785) is 2-(azetidin-3-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide is COc1ccccc1CN(C)C(=O)CC1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is PMHLAHXTGQHXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-16(14(17)7-11-8-15-9-11)10-12-5-3-4-6-13(12)18-2/h3-6,11,15H,7-10H2,1-2H3.
What are the key properties of 2-(azetidin-3-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
2-(azetidin-3-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 248.33 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 64610785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).