1-ethyl-4-(2-methoxyphenyl)-3,3-dimethylazetidin-2-one

C14H19NO2 — CID 90667223

IUPAC1-ethyl-4-(2-methoxyphenyl)-3,3-dimethylazetidin-2-one
SMILESCCN1C(=O)C(C)(C)C1c1ccccc1OC
InChIInChI=1S/C14H19NO2/c1-5-15-12(14(2,3)13(15)16)10-8-6-7-9-11(10)17-4/h6-9,12H,5H2,1-4H3
InChIKeyQDRDOWZHLXLAFY-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.62
Rot. Bonds3

About 1-ethyl-4-(2-methoxyphenyl)-3,3-dimethylazetidin-2-one

1-ethyl-4-(2-methoxyphenyl)-3,3-dimethylazetidin-2-one (PubChem CID 90667223) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-ethyl-4-(2-methoxyphenyl)-3,3-dimethylazetidin-2-one.

Molecular Properties

Compound Name1-ethyl-4-(2-methoxyphenyl)-3,3-dimethylazetidin-2-one
PubChem CID90667223
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-ethyl-4-(2-methoxyphenyl)-3,3-dimethylazetidin-2-one
SMILESCCN1C(=O)C(C)(C)C1c1ccccc1OC
InChIInChI=1S/C14H19NO2/c1-5-15-12(14(2,3)13(15)16)10-8-6-7-9-11(10)17-4/h6-9,12H,5H2,1-4H3
InChIKeyQDRDOWZHLXLAFY-UHFFFAOYSA-N
XLogP2.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2-methoxyphenyl)-3,3-dimethylazetidin-2-one?
The IUPAC name of 1-ethyl-4-(2-methoxyphenyl)-3,3-dimethylazetidin-2-one (CID 90667223) is 1-ethyl-4-(2-methoxyphenyl)-3,3-dimethylazetidin-2-one.
What is the SMILES notation for 1-ethyl-4-(2-methoxyphenyl)-3,3-dimethylazetidin-2-one?
The canonical SMILES for 1-ethyl-4-(2-methoxyphenyl)-3,3-dimethylazetidin-2-one is CCN1C(=O)C(C)(C)C1c1ccccc1OC.
What is the InChIKey of 1-ethyl-4-(2-methoxyphenyl)-3,3-dimethylazetidin-2-one?
The InChIKey is QDRDOWZHLXLAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-5-15-12(14(2,3)13(15)16)10-8-6-7-9-11(10)17-4/h6-9,12H,5H2,1-4H3.
What are the key properties of 1-ethyl-4-(2-methoxyphenyl)-3,3-dimethylazetidin-2-one?
1-ethyl-4-(2-methoxyphenyl)-3,3-dimethylazetidin-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2-methoxyphenyl)-3,3-dimethylazetidin-2-one is sourced from PubChem (CID 90667223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).