1-(4-methylphenyl)-3,3,4-triphenylazetidin-2-one

C28H23NO — CID 156769473

IUPAC1-(4-methylphenyl)-3,3,4-triphenylazetidin-2-one
SMILESCc1ccc(N2C(=O)C(c3ccccc3)(c3ccccc3)C2c2ccccc2)cc1
InChIInChI=1S/C28H23NO/c1-21-17-19-25(20-18-21)29-26(22-11-5-2-6-12-22)28(27(29)30,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-20,26H,1H3
InChIKeyKSDACYRPRKZGBJ-UHFFFAOYSA-N
MW389.50 g/mol
LogP6.07
Rot. Bonds4

About 1-(4-methylphenyl)-3,3,4-triphenylazetidin-2-one

1-(4-methylphenyl)-3,3,4-triphenylazetidin-2-one (PubChem CID 156769473) has the molecular formula C28H23NO and a molecular weight of 389.50 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3,3,4-triphenylazetidin-2-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-3,3,4-triphenylazetidin-2-one
PubChem CID156769473
Molecular FormulaC28H23NO
Molecular Weight389.50 g/mol
Exact Mass389.18
IUPAC Name1-(4-methylphenyl)-3,3,4-triphenylazetidin-2-one
SMILESCc1ccc(N2C(=O)C(c3ccccc3)(c3ccccc3)C2c2ccccc2)cc1
InChIInChI=1S/C28H23NO/c1-21-17-19-25(20-18-21)29-26(22-11-5-2-6-12-22)28(27(29)30,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-20,26H,1H3
InChIKeyKSDACYRPRKZGBJ-UHFFFAOYSA-N
XLogP6.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-tert-butylphenyl)-3,3,4-triphenylazetidin-2-one
CID 156769472
1-(4-methoxyphenyl)-3,3-bis(4-methylphenyl)-4-thiophen-2-ylazetidin-2-one
CID 11647858
(3R,4R)-3-methylsulfanyl-1,3,4-triphenylazetidin-2-one
CID 162406085
(3S,4S)-3-methyl-1-(4-methylphenyl)-4-phenylazetidin-2-one
CID 154718550
3-(4-methylphenyl)-4,6-diphenyl-1,4-dihydropyrimidin-2-one
CID 609974
(3S,4R)-3-bromo-4-(4-chlorophenyl)-1-(4-methylphenyl)-3-phenylsulfanylazetidin-2-one
CID 11503513
(2S,3R)-3-benzhydryl-1-(4-methylphenyl)-4,5-dioxo-2-phenylpyrrolidine-3-carboxylic acid
CID 27046989
(3R,4R)-3-chloro-4-(4-chlorophenyl)-1-(4-methylphenyl)-3-phenylsulfanylazetidin-2-one
CID 11315951
N-[(2R,3R)-3-methyl-2-(4-methylphenyl)-4-oxo-1-phenylazetidin-3-yl]benzamide
CID 101034287
(1R,5R)-3-(4-methylphenyl)-1,6,6-triphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 98114210
5-(4-methylphenyl)-1-phenylimidazolidine-2,4-dione
CID 23244322
1,4-diphenyl-3,3-dipropylazetidin-2-one
CID 70304268

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3,3,4-triphenylazetidin-2-one?
The IUPAC name of 1-(4-methylphenyl)-3,3,4-triphenylazetidin-2-one (CID 156769473) is 1-(4-methylphenyl)-3,3,4-triphenylazetidin-2-one.
What is the SMILES notation for 1-(4-methylphenyl)-3,3,4-triphenylazetidin-2-one?
The canonical SMILES for 1-(4-methylphenyl)-3,3,4-triphenylazetidin-2-one is Cc1ccc(N2C(=O)C(c3ccccc3)(c3ccccc3)C2c2ccccc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3,3,4-triphenylazetidin-2-one?
The InChIKey is KSDACYRPRKZGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23NO/c1-21-17-19-25(20-18-21)29-26(22-11-5-2-6-12-22)28(27(29)30,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-20,26H,1H3.
What are the key properties of 1-(4-methylphenyl)-3,3,4-triphenylazetidin-2-one?
1-(4-methylphenyl)-3,3,4-triphenylazetidin-2-one has a molecular weight of 389.50 g/mol, XLogP of 6.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3,3,4-triphenylazetidin-2-one is sourced from PubChem (CID 156769473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).