N-(2-ethyl-6-methylphenyl)-2-(4-hydroxyphenyl)-2-(2-oxoazetidin-1-yl)acetamide

C20H22N2O3 — CID 4216560

IUPACN-(2-ethyl-6-methylphenyl)-2-(4-hydroxyphenyl)-2-(2-oxoazetidin-1-yl)acetamide
SMILESCCc1cccc(C)c1NC(=O)C(c1ccc(O)cc1)N1CCC1=O
InChIInChI=1S/C20H22N2O3/c1-3-14-6-4-5-13(2)18(14)21-20(25)19(22-12-11-17(22)24)15-7-9-16(23)10-8-15/h4-10,19,23H,3,11-12H2,1-2H3,(H,21,25)
InChIKeyPFGRZTKSONBUJI-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.18
Rot. Bonds5

About N-(2-ethyl-6-methylphenyl)-2-(4-hydroxyphenyl)-2-(2-oxoazetidin-1-yl)acetamide

N-(2-ethyl-6-methylphenyl)-2-(4-hydroxyphenyl)-2-(2-oxoazetidin-1-yl)acetamide (PubChem CID 4216560) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-(4-hydroxyphenyl)-2-(2-oxoazetidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-(4-hydroxyphenyl)-2-(2-oxoazetidin-1-yl)acetamide
PubChem CID4216560
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-(4-hydroxyphenyl)-2-(2-oxoazetidin-1-yl)acetamide
SMILESCCc1cccc(C)c1NC(=O)C(c1ccc(O)cc1)N1CCC1=O
InChIInChI=1S/C20H22N2O3/c1-3-14-6-4-5-13(2)18(14)21-20(25)19(22-12-11-17(22)24)15-7-9-16(23)10-8-15/h4-10,19,23H,3,11-12H2,1-2H3,(H,21,25)
InChIKeyPFGRZTKSONBUJI-UHFFFAOYSA-N
XLogP3.18
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-(4-hydroxyphenyl)-2-(2-oxoazetidin-1-yl)acetamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-(4-hydroxyphenyl)-2-(2-oxoazetidin-1-yl)acetamide (CID 4216560) is N-(2-ethyl-6-methylphenyl)-2-(4-hydroxyphenyl)-2-(2-oxoazetidin-1-yl)acetamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-(4-hydroxyphenyl)-2-(2-oxoazetidin-1-yl)acetamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-(4-hydroxyphenyl)-2-(2-oxoazetidin-1-yl)acetamide is CCc1cccc(C)c1NC(=O)C(c1ccc(O)cc1)N1CCC1=O.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-(4-hydroxyphenyl)-2-(2-oxoazetidin-1-yl)acetamide?
The InChIKey is PFGRZTKSONBUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-3-14-6-4-5-13(2)18(14)21-20(25)19(22-12-11-17(22)24)15-7-9-16(23)10-8-15/h4-10,19,23H,3,11-12H2,1-2H3,(H,21,25).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-(4-hydroxyphenyl)-2-(2-oxoazetidin-1-yl)acetamide?
N-(2-ethyl-6-methylphenyl)-2-(4-hydroxyphenyl)-2-(2-oxoazetidin-1-yl)acetamide has a molecular weight of 338.41 g/mol, XLogP of 3.18, 5 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-(4-hydroxyphenyl)-2-(2-oxoazetidin-1-yl)acetamide is sourced from PubChem (CID 4216560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).