1-(4-methoxyphenyl)-3,3-dimethyl-4-pyridin-2-ylazetidin-2-one

C17H18N2O2 — CID 90667207

IUPAC1-(4-methoxyphenyl)-3,3-dimethyl-4-pyridin-2-ylazetidin-2-one
SMILESCOc1ccc(N2C(=O)C(C)(C)C2c2ccccn2)cc1
InChIInChI=1S/C17H18N2O2/c1-17(2)15(14-6-4-5-11-18-14)19(16(17)20)12-7-9-13(21-3)10-8-12/h4-11,15H,1-3H3
InChIKeyTUGFYSZEZJSWSD-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.20
Rot. Bonds3

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

1-(4-methoxyphenyl)-3,3-dimethyl-4-pyridin-2-ylazetidin-2-one (PubChem CID 90667207) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3,3-dimethyl-4-pyridin-2-ylazetidin-2-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3,3-dimethyl-4-pyridin-2-ylazetidin-2-one
PubChem CID90667207
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name1-(4-methoxyphenyl)-3,3-dimethyl-4-pyridin-2-ylazetidin-2-one
SMILESCOc1ccc(N2C(=O)C(C)(C)C2c2ccccn2)cc1
InChIInChI=1S/C17H18N2O2/c1-17(2)15(14-6-4-5-11-18-14)19(16(17)20)12-7-9-13(21-3)10-8-12/h4-11,15H,1-3H3
InChIKeyTUGFYSZEZJSWSD-UHFFFAOYSA-N
XLogP3.20
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3,3-dimethyl-4-pyridin-2-ylazetidin-2-one?
The IUPAC name of 1-(4-methoxyphenyl)-3,3-dimethyl-4-pyridin-2-ylazetidin-2-one (CID 90667207) is 1-(4-methoxyphenyl)-3,3-dimethyl-4-pyridin-2-ylazetidin-2-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-3,3-dimethyl-4-pyridin-2-ylazetidin-2-one?
The canonical SMILES for 1-(4-methoxyphenyl)-3,3-dimethyl-4-pyridin-2-ylazetidin-2-one is COc1ccc(N2C(=O)C(C)(C)C2c2ccccn2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3,3-dimethyl-4-pyridin-2-ylazetidin-2-one?
The InChIKey is TUGFYSZEZJSWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-17(2)15(14-6-4-5-11-18-14)19(16(17)20)12-7-9-13(21-3)10-8-12/h4-11,15H,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-3,3-dimethyl-4-pyridin-2-ylazetidin-2-one?
1-(4-methoxyphenyl)-3,3-dimethyl-4-pyridin-2-ylazetidin-2-one has a molecular weight of 282.34 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3,3-dimethyl-4-pyridin-2-ylazetidin-2-one is sourced from PubChem (CID 90667207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).