4-(4-aminophenyl)-1-(4-methylphenyl)-3-phenoxyazetidin-2-one

C22H20N2O2 — CID 12509595

IUPAC4-(4-aminophenyl)-1-(4-methylphenyl)-3-phenoxyazetidin-2-one
SMILESCc1ccc(N2C(=O)C(Oc3ccccc3)C2c2ccc(N)cc2)cc1
InChIInChI=1S/C22H20N2O2/c1-15-7-13-18(14-8-15)24-20(16-9-11-17(23)12-10-16)21(22(24)25)26-19-5-3-2-4-6-19/h2-14,20-21H,23H2,1H3
InChIKeyVNSKIKNNRTXVOT-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.11
Rot. Bonds4

About 4-(4-aminophenyl)-1-(4-methylphenyl)-3-phenoxyazetidin-2-one

4-(4-aminophenyl)-1-(4-methylphenyl)-3-phenoxyazetidin-2-one (PubChem CID 12509595) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 4-(4-aminophenyl)-1-(4-methylphenyl)-3-phenoxyazetidin-2-one.

Molecular Properties

Compound Name4-(4-aminophenyl)-1-(4-methylphenyl)-3-phenoxyazetidin-2-one
PubChem CID12509595
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name4-(4-aminophenyl)-1-(4-methylphenyl)-3-phenoxyazetidin-2-one
SMILESCc1ccc(N2C(=O)C(Oc3ccccc3)C2c2ccc(N)cc2)cc1
InChIInChI=1S/C22H20N2O2/c1-15-7-13-18(14-8-15)24-20(16-9-11-17(23)12-10-16)21(22(24)25)26-19-5-3-2-4-6-19/h2-14,20-21H,23H2,1H3
InChIKeyVNSKIKNNRTXVOT-UHFFFAOYSA-N
XLogP4.11
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylphenyl)-4-(4-nitrophenyl)-3-phenoxyazetidin-2-one
CID 12509594
4-(4-aminophenyl)-3-(4-chlorophenoxy)-1-(4-ethoxyphenyl)azetidin-2-one
CID 71534361
4-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-3-phenoxyazetidin-2-one
CID 135013406
(3S,4R)-3-methoxy-1-(4-methoxyphenyl)-4-(4-methylphenyl)azetidin-2-one
CID 102052302
(3S,4R)-3-(4-hydroxyphenoxy)-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 102273364
(3R,4S)-3-(4-hydroxyphenoxy)-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 102273363
(3S,4R)-4-(3-hydroxy-4-methoxyphenyl)-1-(4-methoxyphenyl)-3-phenoxyazetidin-2-one
CID 127025522
(3S,4S)-3-methyl-1-(4-methylphenyl)-4-phenylazetidin-2-one
CID 154718550
4-(4-methylsulfanylphenyl)-3-phenoxy-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 171342778
(3S,4S)-4-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-3-phenoxyazetidin-2-one
CID 7123224
methyl 4-[(2R,3S)-1-(3-chlorophenyl)-4-oxo-3-phenoxyazetidin-2-yl]benzoate
CID 1336445
1-(4-methoxyphenyl)-3-methyl-4-(4-methylphenyl)azetidin-2-one
CID 75219177

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-1-(4-methylphenyl)-3-phenoxyazetidin-2-one?
The IUPAC name of 4-(4-aminophenyl)-1-(4-methylphenyl)-3-phenoxyazetidin-2-one (CID 12509595) is 4-(4-aminophenyl)-1-(4-methylphenyl)-3-phenoxyazetidin-2-one.
What is the SMILES notation for 4-(4-aminophenyl)-1-(4-methylphenyl)-3-phenoxyazetidin-2-one?
The canonical SMILES for 4-(4-aminophenyl)-1-(4-methylphenyl)-3-phenoxyazetidin-2-one is Cc1ccc(N2C(=O)C(Oc3ccccc3)C2c2ccc(N)cc2)cc1.
What is the InChIKey of 4-(4-aminophenyl)-1-(4-methylphenyl)-3-phenoxyazetidin-2-one?
The InChIKey is VNSKIKNNRTXVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-15-7-13-18(14-8-15)24-20(16-9-11-17(23)12-10-16)21(22(24)25)26-19-5-3-2-4-6-19/h2-14,20-21H,23H2,1H3.
What are the key properties of 4-(4-aminophenyl)-1-(4-methylphenyl)-3-phenoxyazetidin-2-one?
4-(4-aminophenyl)-1-(4-methylphenyl)-3-phenoxyazetidin-2-one has a molecular weight of 344.41 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-1-(4-methylphenyl)-3-phenoxyazetidin-2-one is sourced from PubChem (CID 12509595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).