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

C19H21NO2 — CID 90667224

IUPAC1-benzyl-4-(2-methoxyphenyl)-3,3-dimethylazetidin-2-one
SMILESCOc1ccccc1C1N(Cc2ccccc2)C(=O)C1(C)C
InChIInChI=1S/C19H21NO2/c1-19(2)17(15-11-7-8-12-16(15)22-3)20(18(19)21)13-14-9-5-4-6-10-14/h4-12,17H,13H2,1-3H3
InChIKeyZEDNPJDTVRDWDO-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.80
Rot. Bonds4

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

1-benzyl-4-(2-methoxyphenyl)-3,3-dimethylazetidin-2-one (PubChem CID 90667224) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-benzyl-4-(2-methoxyphenyl)-3,3-dimethylazetidin-2-one.

Molecular Properties

Compound Name1-benzyl-4-(2-methoxyphenyl)-3,3-dimethylazetidin-2-one
PubChem CID90667224
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name1-benzyl-4-(2-methoxyphenyl)-3,3-dimethylazetidin-2-one
SMILESCOc1ccccc1C1N(Cc2ccccc2)C(=O)C1(C)C
InChIInChI=1S/C19H21NO2/c1-19(2)17(15-11-7-8-12-16(15)22-3)20(18(19)21)13-14-9-5-4-6-10-14/h4-12,17H,13H2,1-3H3
InChIKeyZEDNPJDTVRDWDO-UHFFFAOYSA-N
XLogP3.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(2-methoxyphenyl)-3,3-dimethylazetidin-2-one?
The IUPAC name of 1-benzyl-4-(2-methoxyphenyl)-3,3-dimethylazetidin-2-one (CID 90667224) is 1-benzyl-4-(2-methoxyphenyl)-3,3-dimethylazetidin-2-one.
What is the SMILES notation for 1-benzyl-4-(2-methoxyphenyl)-3,3-dimethylazetidin-2-one?
The canonical SMILES for 1-benzyl-4-(2-methoxyphenyl)-3,3-dimethylazetidin-2-one is COc1ccccc1C1N(Cc2ccccc2)C(=O)C1(C)C.
What is the InChIKey of 1-benzyl-4-(2-methoxyphenyl)-3,3-dimethylazetidin-2-one?
The InChIKey is ZEDNPJDTVRDWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-19(2)17(15-11-7-8-12-16(15)22-3)20(18(19)21)13-14-9-5-4-6-10-14/h4-12,17H,13H2,1-3H3.
What are the key properties of 1-benzyl-4-(2-methoxyphenyl)-3,3-dimethylazetidin-2-one?
1-benzyl-4-(2-methoxyphenyl)-3,3-dimethylazetidin-2-one has a molecular weight of 295.38 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(2-methoxyphenyl)-3,3-dimethylazetidin-2-one is sourced from PubChem (CID 90667224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).