N-[(4-cyanophenyl)methyl]-N-methyl-2-(3-methylazetidin-3-yl)oxyacetamide

C15H19N3O2 — CID 102655879

IUPACN-[(4-cyanophenyl)methyl]-N-methyl-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCN(Cc1ccc(C#N)cc1)C(=O)COC1(C)CNC1
InChIInChI=1S/C15H19N3O2/c1-15(10-17-11-15)20-9-14(19)18(2)8-13-5-3-12(7-16)4-6-13/h3-6,17H,8-11H2,1-2H3
InChIKeyNAFLIKRBZRBAOB-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.90
Rot. Bonds5

About N-[(4-cyanophenyl)methyl]-N-methyl-2-(3-methylazetidin-3-yl)oxyacetamide

N-[(4-cyanophenyl)methyl]-N-methyl-2-(3-methylazetidin-3-yl)oxyacetamide (PubChem CID 102655879) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-N-methyl-2-(3-methylazetidin-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-N-methyl-2-(3-methylazetidin-3-yl)oxyacetamide
PubChem CID102655879
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[(4-cyanophenyl)methyl]-N-methyl-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCN(Cc1ccc(C#N)cc1)C(=O)COC1(C)CNC1
InChIInChI=1S/C15H19N3O2/c1-15(10-17-11-15)20-9-14(19)18(2)8-13-5-3-12(7-16)4-6-13/h3-6,17H,8-11H2,1-2H3
InChIKeyNAFLIKRBZRBAOB-UHFFFAOYSA-N
XLogP0.90
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102655891
N-[(4-cyanophenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 39858491
2-(4-cyanophenoxy)-N-[(4-ethylphenyl)methyl]-N-methylacetamide
CID 7535470
N-[(4-cyanophenyl)methyl]-N-methyl-2-piperazin-1-ylacetamide
CID 60940005
2-(1-aminocyclobutyl)-N-[(4-cyanophenyl)methyl]-N-methylacetamide
CID 79853828
N-[(4-cyanophenyl)methyl]-N-methyl-3-oxobutanamide
CID 54876621
N-[(4-cyanophenyl)methyl]-N-methylbutanamide
CID 60737799
N-methyl-2-(3-methylazetidin-3-yl)oxy-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 102611950
N-[(2-cyanophenyl)methyl]-N-ethyl-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102655924
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102610852
(E)-4-[(4-cyanophenyl)methyl-methylamino]-4-oxobut-2-enoic acid
CID 54875290
3-(4-cyanophenyl)-N-[(4-ethylphenyl)methyl]-N-methylpropanamide
CID 31947728

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-N-methyl-2-(3-methylazetidin-3-yl)oxyacetamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-N-methyl-2-(3-methylazetidin-3-yl)oxyacetamide (CID 102655879) is N-[(4-cyanophenyl)methyl]-N-methyl-2-(3-methylazetidin-3-yl)oxyacetamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-N-methyl-2-(3-methylazetidin-3-yl)oxyacetamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-N-methyl-2-(3-methylazetidin-3-yl)oxyacetamide is CN(Cc1ccc(C#N)cc1)C(=O)COC1(C)CNC1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-N-methyl-2-(3-methylazetidin-3-yl)oxyacetamide?
The InChIKey is NAFLIKRBZRBAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-15(10-17-11-15)20-9-14(19)18(2)8-13-5-3-12(7-16)4-6-13/h3-6,17H,8-11H2,1-2H3.
What are the key properties of N-[(4-cyanophenyl)methyl]-N-methyl-2-(3-methylazetidin-3-yl)oxyacetamide?
N-[(4-cyanophenyl)methyl]-N-methyl-2-(3-methylazetidin-3-yl)oxyacetamide has a molecular weight of 273.34 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-N-methyl-2-(3-methylazetidin-3-yl)oxyacetamide is sourced from PubChem (CID 102655879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).