3-[(1-methylazetidin-2-yl)methoxy]benzamide

C12H16N2O2 — CID 175878992

IUPAC3-[(1-methylazetidin-2-yl)methoxy]benzamide
SMILESCN1CCC1COc1cccc(C(N)=O)c1
InChIInChI=1S/C12H16N2O2/c1-14-6-5-10(14)8-16-11-4-2-3-9(7-11)12(13)15/h2-4,7,10H,5-6,8H2,1H3,(H2,13,15)
InChIKeyYXJTUCLTYUUXAS-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.87
Rot. Bonds4

About 3-[(1-methylazetidin-2-yl)methoxy]benzamide

3-[(1-methylazetidin-2-yl)methoxy]benzamide (PubChem CID 175878992) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-[(1-methylazetidin-2-yl)methoxy]benzamide.

Molecular Properties

Compound Name3-[(1-methylazetidin-2-yl)methoxy]benzamide
PubChem CID175878992
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name3-[(1-methylazetidin-2-yl)methoxy]benzamide
SMILESCN1CCC1COc1cccc(C(N)=O)c1
InChIInChI=1S/C12H16N2O2/c1-14-6-5-10(14)8-16-11-4-2-3-9(7-11)12(13)15/h2-4,7,10H,5-6,8H2,1H3,(H2,13,15)
InChIKeyYXJTUCLTYUUXAS-UHFFFAOYSA-N
XLogP0.87
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzoic acid
CID 102823660
3-[(1-methylpiperidin-2-yl)methoxy]-N-[3-[(1-methylpiperidin-2-yl)methoxy]phenyl]aniline
CID 20738719
1-[3-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]ethanone
CID 79168162
(2R)-2-[(3-fluorophenoxy)methyl]-1-methylpyrrolidine
CID 22857692
3-propoxybenzamide
CID 22311435
3-[(1-methylpyrrolidin-2-yl)methoxy]benzaldehyde
CID 117051893
3-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropoxy]benzamide
CID 120819165
3-[3-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-3-oxopropoxy]benzamide
CID 124691675
1-[3-(3-carbamoylphenoxy)propanoyl]piperidine-4-carboxylic acid
CID 119349211
ethyl 4-[2-(3-carbamoylphenoxy)acetyl]piperazine-1-carboxylate
CID 51088119
3-(5-butoxypentoxy)benzamide
CID 71713772
3-[(4-methylmorpholin-2-yl)methoxy]benzoic acid
CID 79166366

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylazetidin-2-yl)methoxy]benzamide?
The IUPAC name of 3-[(1-methylazetidin-2-yl)methoxy]benzamide (CID 175878992) is 3-[(1-methylazetidin-2-yl)methoxy]benzamide.
What is the SMILES notation for 3-[(1-methylazetidin-2-yl)methoxy]benzamide?
The canonical SMILES for 3-[(1-methylazetidin-2-yl)methoxy]benzamide is CN1CCC1COc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[(1-methylazetidin-2-yl)methoxy]benzamide?
The InChIKey is YXJTUCLTYUUXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-14-6-5-10(14)8-16-11-4-2-3-9(7-11)12(13)15/h2-4,7,10H,5-6,8H2,1H3,(H2,13,15).
What are the key properties of 3-[(1-methylazetidin-2-yl)methoxy]benzamide?
3-[(1-methylazetidin-2-yl)methoxy]benzamide has a molecular weight of 220.27 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylazetidin-2-yl)methoxy]benzamide is sourced from PubChem (CID 175878992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).