N-[4-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]acetamide

C13H16N2O2 — CID 1488680

IUPACN-[4-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2CC(C)(C)C2=O)cc1
InChIInChI=1S/C13H16N2O2/c1-9(16)14-10-4-6-11(7-5-10)15-8-13(2,3)12(15)17/h4-7H,8H2,1-3H3,(H,14,16)
InChIKeyPHGOCHSYEFNMQT-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.02
Rot. Bonds2

About N-[4-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]acetamide

N-[4-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]acetamide (PubChem CID 1488680) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-[4-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]acetamide
PubChem CID1488680
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-[4-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2CC(C)(C)C2=O)cc1
InChIInChI=1S/C13H16N2O2/c1-9(16)14-10-4-6-11(7-5-10)15-8-13(2,3)12(15)17/h4-7H,8H2,1-3H3,(H,14,16)
InChIKeyPHGOCHSYEFNMQT-UHFFFAOYSA-N
XLogP2.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]acetamide?
The IUPAC name of N-[4-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]acetamide (CID 1488680) is N-[4-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]acetamide is CC(=O)Nc1ccc(N2CC(C)(C)C2=O)cc1.
What is the InChIKey of N-[4-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]acetamide?
The InChIKey is PHGOCHSYEFNMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9(16)14-10-4-6-11(7-5-10)15-8-13(2,3)12(15)17/h4-7H,8H2,1-3H3,(H,14,16).
What are the key properties of N-[4-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]acetamide?
N-[4-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]acetamide has a molecular weight of 232.28 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 1488680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).