(3S,4S)-4-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-3-phenoxyazetidin-2-one

C25H25NO4 — CID 7123224

IUPAC(3S,4S)-4-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-3-phenoxyazetidin-2-one
SMILESCOc1ccc([C@H]2[C@H](Oc3ccccc3)C(=O)N2c2cc(C)ccc2C)cc1OC
InChIInChI=1S/C25H25NO4/c1-16-10-11-17(2)20(14-16)26-23(18-12-13-21(28-3)22(15-18)29-4)24(25(26)27)30-19-8-6-5-7-9-19/h5-15,23-24H,1-4H3/t23-,24-/m0/s1
InChIKeyFJBMCTBJPTYACH-ZEQRLZLVSA-N
MW403.48 g/mol
LogP4.86
Rot. Bonds6

About (3S,4S)-4-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-3-phenoxyazetidin-2-one

(3S,4S)-4-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-3-phenoxyazetidin-2-one (PubChem CID 7123224) has the molecular formula C25H25NO4 and a molecular weight of 403.48 g/mol. Its IUPAC name is (3S,4S)-4-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-3-phenoxyazetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-4-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-3-phenoxyazetidin-2-one
PubChem CID7123224
Molecular FormulaC25H25NO4
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC Name(3S,4S)-4-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-3-phenoxyazetidin-2-one
SMILESCOc1ccc([C@H]2[C@H](Oc3ccccc3)C(=O)N2c2cc(C)ccc2C)cc1OC
InChIInChI=1S/C25H25NO4/c1-16-10-11-17(2)20(14-16)26-23(18-12-13-21(28-3)22(15-18)29-4)24(25(26)27)30-19-8-6-5-7-9-19/h5-15,23-24H,1-4H3/t23-,24-/m0/s1
InChIKeyFJBMCTBJPTYACH-ZEQRLZLVSA-N
XLogP4.86
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S,4S)-4-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-3-phenoxyazetidin-2-one with MolForge

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Related Compounds

4-(1,3-Benzodioxol-5-yl)-1-[2-(4-methoxyphenyl)ethyl]-3-phenoxyazetidin-2-one
CID 4317909
1-(4-Fluorobenzyl)-3-phenoxy-4-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 5228397
(3S,4R)-1-(4-methoxyphenyl)-3-phenoxy-4-phenylazetidin-2-one
CID 12897143
1-(4-Methoxyphenyl)-4-(4-methylphenyl)-3-phenoxyazetidin-2-one
CID 15417856
cis-1,4-Bis(4-methoxyphenyl)-3-phenoxyazetidin-2-one
CID 15855353
[2-(4-Methoxyphenyl)-4-oxo-1-(3,4,5-trimethoxyphenyl)azetidin-3-yl] acetate
CID 44305057
(3S,4S)-1,4-bis(4-hydroxyphenyl)-3-phenoxyazetidin-2-one
CID 118724550
(3R,4R)-4-(3-amino-4-methoxyphenyl)-3-phenoxy-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 127025812
(3S,4R)-4-(3-hydroxy-4-methoxyphenyl)-3-phenoxy-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 127029543
(3R,4R)-4-(3-hydroxy-4-methoxyphenyl)-3-phenoxy-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 127029544
(3S,4S)-4-(4-methoxy-3-methylphenyl)-3-phenoxy-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 162650345
(3S,4S)-4-(3-fluoro-4-methoxyphenyl)-3-phenoxy-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 162659942

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-3-phenoxyazetidin-2-one?
The IUPAC name of (3S,4S)-4-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-3-phenoxyazetidin-2-one (CID 7123224) is (3S,4S)-4-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-3-phenoxyazetidin-2-one.
What is the SMILES notation for (3S,4S)-4-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-3-phenoxyazetidin-2-one?
The canonical SMILES for (3S,4S)-4-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-3-phenoxyazetidin-2-one is COc1ccc([C@H]2[C@H](Oc3ccccc3)C(=O)N2c2cc(C)ccc2C)cc1OC.
What is the InChIKey of (3S,4S)-4-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-3-phenoxyazetidin-2-one?
The InChIKey is FJBMCTBJPTYACH-ZEQRLZLVSA-N. The full InChI is InChI=1S/C25H25NO4/c1-16-10-11-17(2)20(14-16)26-23(18-12-13-21(28-3)22(15-18)29-4)24(25(26)27)30-19-8-6-5-7-9-19/h5-15,23-24H,1-4H3/t23-,24-/m0/s1.
What are the key properties of (3S,4S)-4-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-3-phenoxyazetidin-2-one?
(3S,4S)-4-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-3-phenoxyazetidin-2-one has a molecular weight of 403.48 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-3-phenoxyazetidin-2-one is sourced from PubChem (CID 7123224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).