N-(2,5-dimethylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide

C13H18N2O2 — CID 63282334

IUPACN-(2,5-dimethylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide
SMILESCc1ccc(C)c(NC(=O)CN2CC(O)C2)c1
InChIInChI=1S/C13H18N2O2/c1-9-3-4-10(2)12(5-9)14-13(17)8-15-6-11(16)7-15/h3-5,11,16H,6-8H2,1-2H3,(H,14,17)
InChIKeyQJWBYUZIJDHYSS-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.92
Rot. Bonds3

About N-(2,5-dimethylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide

N-(2,5-dimethylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide (PubChem CID 63282334) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide
PubChem CID63282334
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(2,5-dimethylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide
SMILESCc1ccc(C)c(NC(=O)CN2CC(O)C2)c1
InChIInChI=1S/C13H18N2O2/c1-9-3-4-10(2)12(5-9)14-13(17)8-15-6-11(16)7-15/h3-5,11,16H,6-8H2,1-2H3,(H,14,17)
InChIKeyQJWBYUZIJDHYSS-UHFFFAOYSA-N
XLogP0.92
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901854
N-(2,5-dimethylphenyl)-2-(4-fluoropiperidin-1-yl)acetamide
CID 171701345
2-(3-aminopyrrolidin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 62068769
2-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)-N-(2,5-dimethylphenyl)acetamide
CID 126212920
N-(2,5-dimethylphenyl)-2-(2-methylmorpholin-4-yl)acetamide
CID 51291532
N-(2,5-dimethylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 22196969
2-(4-amino-3-methylpiperidin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 79868364
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2,5-dimethylphenyl)acetamide;hydrochloride
CID 120761700
N-(5-fluoro-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62917861
2-[(8aS)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-N-(2,5-dimethylphenyl)acetamide
CID 97221010
N-(5-amino-2-methylphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)acetamide
CID 79189234
N-(2,5-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30663123

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide (CID 63282334) is N-(2,5-dimethylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide is Cc1ccc(C)c(NC(=O)CN2CC(O)C2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide?
The InChIKey is QJWBYUZIJDHYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-3-4-10(2)12(5-9)14-13(17)8-15-6-11(16)7-15/h3-5,11,16H,6-8H2,1-2H3,(H,14,17).
What are the key properties of N-(2,5-dimethylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide?
N-(2,5-dimethylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide has a molecular weight of 234.30 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide is sourced from PubChem (CID 63282334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).