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

C19H21NO3 — CID 90667215

IUPAC4-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3,3-dimethylazetidin-2-one
SMILESCOc1ccc(N2C(=O)C(C)(C)C2c2ccccc2OC)cc1
InChIInChI=1S/C19H21NO3/c1-19(2)17(15-7-5-6-8-16(15)23-4)20(18(19)21)13-9-11-14(22-3)12-10-13/h5-12,17H,1-4H3
InChIKeyAIBOYEAMFXSWTP-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.82
Rot. Bonds4

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

4-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3,3-dimethylazetidin-2-one (PubChem CID 90667215) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3,3-dimethylazetidin-2-one.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3,3-dimethylazetidin-2-one
PubChem CID90667215
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name4-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3,3-dimethylazetidin-2-one
SMILESCOc1ccc(N2C(=O)C(C)(C)C2c2ccccc2OC)cc1
InChIInChI=1S/C19H21NO3/c1-19(2)17(15-7-5-6-8-16(15)23-4)20(18(19)21)13-9-11-14(22-3)12-10-13/h5-12,17H,1-4H3
InChIKeyAIBOYEAMFXSWTP-UHFFFAOYSA-N
XLogP3.82
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3,3-dimethylazetidin-2-one?
The IUPAC name of 4-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3,3-dimethylazetidin-2-one (CID 90667215) is 4-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3,3-dimethylazetidin-2-one.
What is the SMILES notation for 4-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3,3-dimethylazetidin-2-one?
The canonical SMILES for 4-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3,3-dimethylazetidin-2-one is COc1ccc(N2C(=O)C(C)(C)C2c2ccccc2OC)cc1.
What is the InChIKey of 4-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3,3-dimethylazetidin-2-one?
The InChIKey is AIBOYEAMFXSWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-19(2)17(15-7-5-6-8-16(15)23-4)20(18(19)21)13-9-11-14(22-3)12-10-13/h5-12,17H,1-4H3.
What are the key properties of 4-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3,3-dimethylazetidin-2-one?
4-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3,3-dimethylazetidin-2-one has a molecular weight of 311.38 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3,3-dimethylazetidin-2-one is sourced from PubChem (CID 90667215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).