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

C19H21NO2 — CID 13120085

IUPAC1-[(4-methoxyphenyl)methyl]-3,3-dimethyl-4-phenylazetidin-2-one
SMILESCOc1ccc(CN2C(=O)C(C)(C)C2c2ccccc2)cc1
InChIInChI=1S/C19H21NO2/c1-19(2)17(15-7-5-4-6-8-15)20(18(19)21)13-14-9-11-16(22-3)12-10-14/h4-12,17H,13H2,1-3H3
InChIKeyCAHKYFPNYYUUBT-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.80
Rot. Bonds4

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

1-[(4-methoxyphenyl)methyl]-3,3-dimethyl-4-phenylazetidin-2-one (PubChem CID 13120085) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3,3-dimethyl-4-phenylazetidin-2-one.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-3,3-dimethyl-4-phenylazetidin-2-one
PubChem CID13120085
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name1-[(4-methoxyphenyl)methyl]-3,3-dimethyl-4-phenylazetidin-2-one
SMILESCOc1ccc(CN2C(=O)C(C)(C)C2c2ccccc2)cc1
InChIInChI=1S/C19H21NO2/c1-19(2)17(15-7-5-4-6-8-15)20(18(19)21)13-14-9-11-16(22-3)12-10-14/h4-12,17H,13H2,1-3H3
InChIKeyCAHKYFPNYYUUBT-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-[(4-methoxyphenyl)methyl]-3,3-dimethyl-4-phenylazetidin-2-one?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3,3-dimethyl-4-phenylazetidin-2-one (CID 13120085) is 1-[(4-methoxyphenyl)methyl]-3,3-dimethyl-4-phenylazetidin-2-one.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-3,3-dimethyl-4-phenylazetidin-2-one?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3,3-dimethyl-4-phenylazetidin-2-one is COc1ccc(CN2C(=O)C(C)(C)C2c2ccccc2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-3,3-dimethyl-4-phenylazetidin-2-one?
The InChIKey is CAHKYFPNYYUUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-19(2)17(15-7-5-4-6-8-15)20(18(19)21)13-14-9-11-16(22-3)12-10-14/h4-12,17H,13H2,1-3H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-3,3-dimethyl-4-phenylazetidin-2-one?
1-[(4-methoxyphenyl)methyl]-3,3-dimethyl-4-phenylazetidin-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-[(4-methoxyphenyl)methyl]-3,3-dimethyl-4-phenylazetidin-2-one is sourced from PubChem (CID 13120085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).