N-(2-ethyl-6-methylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide

C14H20N2O2 — CID 63282563

IUPACN-(2-ethyl-6-methylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide
SMILESCCc1cccc(C)c1NC(=O)CN1CC(O)C1
InChIInChI=1S/C14H20N2O2/c1-3-11-6-4-5-10(2)14(11)15-13(18)9-16-7-12(17)8-16/h4-6,12,17H,3,7-9H2,1-2H3,(H,15,18)
InChIKeyGHLMUDQCDCMCRV-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.17
Rot. Bonds4

About N-(2-ethyl-6-methylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide

N-(2-ethyl-6-methylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide (PubChem CID 63282563) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide
PubChem CID63282563
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide
SMILESCCc1cccc(C)c1NC(=O)CN1CC(O)C1
InChIInChI=1S/C14H20N2O2/c1-3-11-6-4-5-10(2)14(11)15-13(18)9-16-7-12(17)8-16/h4-6,12,17H,3,7-9H2,1-2H3,(H,15,18)
InChIKeyGHLMUDQCDCMCRV-UHFFFAOYSA-N
XLogP1.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-diethylphenyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8930429
N-(2,6-diethylphenyl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 51171911
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide;hydrochloride
CID 119928048
(3aS,6aR)-2-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120680039
N-(2,6-dimethylphenyl)-2-(3,5-dimethylpiperazin-1-yl)acetamide
CID 22273392
N-(2-ethyl-6-methylphenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide
CID 78896380
N-(2-ethyl-6-methylphenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 16554808
N-(2-ethyl-6-methylphenyl)-3-pyrrolidin-1-ylpropanamide
CID 110688197
N-(2-ethyl-6-methylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 47192750
N-(2-ethyl-6-methylphenyl)-2-(2-formylpiperidin-1-yl)acetamide
CID 62654437
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
N-(2,6-diethylphenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 22197689

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide (CID 63282563) is N-(2-ethyl-6-methylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide is CCc1cccc(C)c1NC(=O)CN1CC(O)C1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide?
The InChIKey is GHLMUDQCDCMCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-11-6-4-5-10(2)14(11)15-13(18)9-16-7-12(17)8-16/h4-6,12,17H,3,7-9H2,1-2H3,(H,15,18).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide?
N-(2-ethyl-6-methylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide has a molecular weight of 248.33 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide is sourced from PubChem (CID 63282563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).