(3S,4R)-1-(4-methoxyphenyl)-4-(4-methylphenyl)-3-phenoxyazetidin-2-one

C23H21NO3 — CID 15417856

IUPAC(3S,4R)-1-(4-methoxyphenyl)-4-(4-methylphenyl)-3-phenoxyazetidin-2-one
SMILESCOc1ccc(N2C(=O)[C@@H](Oc3ccccc3)[C@H]2c2ccc(C)cc2)cc1
InChIInChI=1S/C23H21NO3/c1-16-8-10-17(11-9-16)21-22(27-20-6-4-3-5-7-20)23(25)24(21)18-12-14-19(26-2)15-13-18/h3-15,21-22H,1-2H3/t21-,22+/m1/s1
InChIKeyMLTKDLLYPUYNCO-YADHBBJMSA-N
MW359.43 g/mol
LogP4.54
Rot. Bonds5

About (3S,4R)-1-(4-methoxyphenyl)-4-(4-methylphenyl)-3-phenoxyazetidin-2-one

(3S,4R)-1-(4-methoxyphenyl)-4-(4-methylphenyl)-3-phenoxyazetidin-2-one (PubChem CID 15417856) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is (3S,4R)-1-(4-methoxyphenyl)-4-(4-methylphenyl)-3-phenoxyazetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-1-(4-methoxyphenyl)-4-(4-methylphenyl)-3-phenoxyazetidin-2-one
PubChem CID15417856
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Name(3S,4R)-1-(4-methoxyphenyl)-4-(4-methylphenyl)-3-phenoxyazetidin-2-one
SMILESCOc1ccc(N2C(=O)[C@@H](Oc3ccccc3)[C@H]2c2ccc(C)cc2)cc1
InChIInChI=1S/C23H21NO3/c1-16-8-10-17(11-9-16)21-22(27-20-6-4-3-5-7-20)23(25)24(21)18-12-14-19(26-2)15-13-18/h3-15,21-22H,1-2H3/t21-,22+/m1/s1
InChIKeyMLTKDLLYPUYNCO-YADHBBJMSA-N
XLogP4.54
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-{2-[Benzyl(methyl)amino]ethoxy}phenyl)-4-(benzyloxy)pyridin-2(1H)-one
CID 53321223
2-Azetidinone, 1-(4-methoxyphenyl)-3,3-dimethyl-4-phenyl-
CID 11033292
[(4R,5S)-3-(4-methoxyphenyl)-2-oxo-4-(3-phenylpropyl)-1,3-oxazolidin-5-yl]methyl 2-phenylacetate
CID 44413436
3-[(Diethylamino)methyl]-1-(4-methoxyphenyl)-4-phenyl-2-azetanone
CID 3840657
3,3-Difluoro-4-(2-fluorophenyl)-1-(4-methoxyphenyl)azetidin-2-one
CID 4195865
N-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-phenylbenzamide
CID 10295411
4-benzyloxy-1-{4-[2-(dimethylamino)ethoxy]phenyl}-1H-pyridin-2-one
CID 11559625
4-(Benzyloxy)-1-{4-[2-(diethylamino)ethoxy]phenyl}-pyridin-2(1H)-one
CID 11596311
4-(Benzyloxy)-1-{4-[2-(diisopropylamino)ethoxy]-phenyl}pyridin-2(1H)-one
CID 53325164
4-(Benzyloxy)-1-(4-{[1-(dimethylamino)propan-2-yl]-oxy}phenyl)pyridin-2(1H)-one
CID 53325165
Sch 48461
CID 132832
2-[4-(4-Methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl acetate
CID 2931753

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-(4-methoxyphenyl)-4-(4-methylphenyl)-3-phenoxyazetidin-2-one?
The IUPAC name of (3S,4R)-1-(4-methoxyphenyl)-4-(4-methylphenyl)-3-phenoxyazetidin-2-one (CID 15417856) is (3S,4R)-1-(4-methoxyphenyl)-4-(4-methylphenyl)-3-phenoxyazetidin-2-one.
What is the SMILES notation for (3S,4R)-1-(4-methoxyphenyl)-4-(4-methylphenyl)-3-phenoxyazetidin-2-one?
The canonical SMILES for (3S,4R)-1-(4-methoxyphenyl)-4-(4-methylphenyl)-3-phenoxyazetidin-2-one is COc1ccc(N2C(=O)[C@@H](Oc3ccccc3)[C@H]2c2ccc(C)cc2)cc1.
What is the InChIKey of (3S,4R)-1-(4-methoxyphenyl)-4-(4-methylphenyl)-3-phenoxyazetidin-2-one?
The InChIKey is MLTKDLLYPUYNCO-YADHBBJMSA-N. The full InChI is InChI=1S/C23H21NO3/c1-16-8-10-17(11-9-16)21-22(27-20-6-4-3-5-7-20)23(25)24(21)18-12-14-19(26-2)15-13-18/h3-15,21-22H,1-2H3/t21-,22+/m1/s1.
What are the key properties of (3S,4R)-1-(4-methoxyphenyl)-4-(4-methylphenyl)-3-phenoxyazetidin-2-one?
(3S,4R)-1-(4-methoxyphenyl)-4-(4-methylphenyl)-3-phenoxyazetidin-2-one has a molecular weight of 359.43 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-(4-methoxyphenyl)-4-(4-methylphenyl)-3-phenoxyazetidin-2-one is sourced from PubChem (CID 15417856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).