1-(4-methoxyphenyl)-3,3-dimethyl-4-phenylazetidin-2-one

C18H19NO2 — CID 11033292

IUPAC1-(4-methoxyphenyl)-3,3-dimethyl-4-phenylazetidin-2-one
SMILESCOc1ccc(N2C(=O)C(C)(C)C2c2ccccc2)cc1
InChIInChI=1S/C18H19NO2/c1-18(2)16(13-7-5-4-6-8-13)19(17(18)20)14-9-11-15(21-3)12-10-14/h4-12,16H,1-3H3
InChIKeyCSZHSDQORHZWBJ-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.81
Rot. Bonds3

About 1-(4-methoxyphenyl)-3,3-dimethyl-4-phenylazetidin-2-one

1-(4-methoxyphenyl)-3,3-dimethyl-4-phenylazetidin-2-one (PubChem CID 11033292) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3,3-dimethyl-4-phenylazetidin-2-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3,3-dimethyl-4-phenylazetidin-2-one
PubChem CID11033292
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name1-(4-methoxyphenyl)-3,3-dimethyl-4-phenylazetidin-2-one
SMILESCOc1ccc(N2C(=O)C(C)(C)C2c2ccccc2)cc1
InChIInChI=1S/C18H19NO2/c1-18(2)16(13-7-5-4-6-8-13)19(17(18)20)14-9-11-15(21-3)12-10-14/h4-12,16H,1-3H3
InChIKeyCSZHSDQORHZWBJ-UHFFFAOYSA-N
XLogP3.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3,3-dimethyl-4-phenylazetidin-2-one?
The IUPAC name of 1-(4-methoxyphenyl)-3,3-dimethyl-4-phenylazetidin-2-one (CID 11033292) is 1-(4-methoxyphenyl)-3,3-dimethyl-4-phenylazetidin-2-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-3,3-dimethyl-4-phenylazetidin-2-one?
The canonical SMILES for 1-(4-methoxyphenyl)-3,3-dimethyl-4-phenylazetidin-2-one is COc1ccc(N2C(=O)C(C)(C)C2c2ccccc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3,3-dimethyl-4-phenylazetidin-2-one?
The InChIKey is CSZHSDQORHZWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-18(2)16(13-7-5-4-6-8-13)19(17(18)20)14-9-11-15(21-3)12-10-14/h4-12,16H,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-3,3-dimethyl-4-phenylazetidin-2-one?
1-(4-methoxyphenyl)-3,3-dimethyl-4-phenylazetidin-2-one has a molecular weight of 281.36 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3,3-dimethyl-4-phenylazetidin-2-one is sourced from PubChem (CID 11033292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).