1-tert-butyl-3-(4-methoxyphenyl)-4-phenylazetidin-2-one

C20H23NO2 — CID 102287455

IUPAC1-tert-butyl-3-(4-methoxyphenyl)-4-phenylazetidin-2-one
SMILESCOc1ccc(C2C(=O)N(C(C)(C)C)C2c2ccccc2)cc1
InChIInChI=1S/C20H23NO2/c1-20(2,3)21-18(15-8-6-5-7-9-15)17(19(21)22)14-10-12-16(23-4)13-11-14/h5-13,17-18H,1-4H3
InChIKeyIVUFRMHINGXKLH-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.16
Rot. Bonds3

About 1-tert-butyl-3-(4-methoxyphenyl)-4-phenylazetidin-2-one

1-tert-butyl-3-(4-methoxyphenyl)-4-phenylazetidin-2-one (PubChem CID 102287455) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-tert-butyl-3-(4-methoxyphenyl)-4-phenylazetidin-2-one.

Molecular Properties

Compound Name1-tert-butyl-3-(4-methoxyphenyl)-4-phenylazetidin-2-one
PubChem CID102287455
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name1-tert-butyl-3-(4-methoxyphenyl)-4-phenylazetidin-2-one
SMILESCOc1ccc(C2C(=O)N(C(C)(C)C)C2c2ccccc2)cc1
InChIInChI=1S/C20H23NO2/c1-20(2,3)21-18(15-8-6-5-7-9-15)17(19(21)22)14-10-12-16(23-4)13-11-14/h5-13,17-18H,1-4H3
InChIKeyIVUFRMHINGXKLH-UHFFFAOYSA-N
XLogP4.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4S)-1-tert-butyl-3,4-diphenylazetidin-2-one
CID 135070728
(3R,4S)-1,4-bis(4-methoxyphenyl)-3-phenylazetidin-2-one
CID 101388237
(2R,3R,5S,6S)-2,6-bis(4-methoxyphenyl)-3,5-diphenylpiperidin-4-one
CID 40806325
(4S,5S)-4-tert-butyl-1,3-bis(4-methoxyphenyl)-5-phenylimidazolidin-2-one
CID 10574666
(3R,4S)-3-amino-1-benzhydryl-4-(4-methoxyphenyl)azetidin-2-one
CID 54028985
3-amino-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 12545415
(3R,4S)-3-[(Z)-2-methoxyethenyl]-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 102251895
(3R,4S)-1-(4-methoxyphenyl)-4-phenyl-3-prop-1-en-2-ylazetidin-2-one
CID 100945342
(3R,4S)-1-methyl-3,4-diphenylazetidin-2-one
CID 122372873
(3R,4R)-1-(4-methoxyphenyl)-4-phenyl-3-propan-2-ylazetidin-2-one
CID 13219690
(3S,4R)-3-ethenyl-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 14068192
7,14-bis(4-methoxyphenyl)-4,11-diphenyl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
CID 5234641

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(4-methoxyphenyl)-4-phenylazetidin-2-one?
The IUPAC name of 1-tert-butyl-3-(4-methoxyphenyl)-4-phenylazetidin-2-one (CID 102287455) is 1-tert-butyl-3-(4-methoxyphenyl)-4-phenylazetidin-2-one.
What is the SMILES notation for 1-tert-butyl-3-(4-methoxyphenyl)-4-phenylazetidin-2-one?
The canonical SMILES for 1-tert-butyl-3-(4-methoxyphenyl)-4-phenylazetidin-2-one is COc1ccc(C2C(=O)N(C(C)(C)C)C2c2ccccc2)cc1.
What is the InChIKey of 1-tert-butyl-3-(4-methoxyphenyl)-4-phenylazetidin-2-one?
The InChIKey is IVUFRMHINGXKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-20(2,3)21-18(15-8-6-5-7-9-15)17(19(21)22)14-10-12-16(23-4)13-11-14/h5-13,17-18H,1-4H3.
What are the key properties of 1-tert-butyl-3-(4-methoxyphenyl)-4-phenylazetidin-2-one?
1-tert-butyl-3-(4-methoxyphenyl)-4-phenylazetidin-2-one has a molecular weight of 309.41 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(4-methoxyphenyl)-4-phenylazetidin-2-one is sourced from PubChem (CID 102287455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).