(3R,4S)-4-naphthalen-1-yl-3-phenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one

C28H25NO4 — CID 56683736

IUPAC(3R,4S)-4-naphthalen-1-yl-3-phenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
SMILESCOc1cc(N2C(=O)[C@H](c3ccccc3)[C@H]2c2cccc3ccccc23)cc(OC)c1OC
InChIInChI=1S/C28H25NO4/c1-31-23-16-20(17-24(32-2)27(23)33-3)29-26(25(28(29)30)19-11-5-4-6-12-19)22-15-9-13-18-10-7-8-14-21(18)22/h4-17,25-26H,1-3H3/t25-,26-/m1/s1
InChIKeySIQMLKKWJPMXHD-CLJLJLNGSA-N
MW439.51 g/mol
LogP5.74
Rot. Bonds6

About (3R,4S)-4-naphthalen-1-yl-3-phenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one

(3R,4S)-4-naphthalen-1-yl-3-phenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one (PubChem CID 56683736) has the molecular formula C28H25NO4 and a molecular weight of 439.51 g/mol. Its IUPAC name is (3R,4S)-4-naphthalen-1-yl-3-phenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-4-naphthalen-1-yl-3-phenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
PubChem CID56683736
Molecular FormulaC28H25NO4
Molecular Weight439.51 g/mol
Exact Mass439.18
IUPAC Name(3R,4S)-4-naphthalen-1-yl-3-phenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
SMILESCOc1cc(N2C(=O)[C@H](c3ccccc3)[C@H]2c2cccc3ccccc23)cc(OC)c1OC
InChIInChI=1S/C28H25NO4/c1-31-23-16-20(17-24(32-2)27(23)33-3)29-26(25(28(29)30)19-11-5-4-6-12-19)22-15-9-13-18-10-7-8-14-21(18)22/h4-17,25-26H,1-3H3/t25-,26-/m1/s1
InChIKeySIQMLKKWJPMXHD-CLJLJLNGSA-N
XLogP5.74
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.51
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4R)-4-(3-hydroxy-4-methoxyphenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 131953484
(3r,4r)-4-(4-Methoxy-3-Oxidanyl-Phenyl)-3-Methyl-1-(3,4,5-Trimethoxyphenyl)azetidin-2-One
CID 124222383
(3R,4S)-4-(3-hydroxy-4-methoxyphenyl)-3-(4-hydroxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 50915196
2-(3,4,5-Trimethoxyphenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
CID 52952987
6-(3,4,5-Trimethoxyphenyl)-5H-dibenzo[c,e]azepine-5,7(6H)-dione
CID 52952989
(3S,4R)-4-(3-hydroxy-4-methoxyphenyl)-3-phenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 46941177
4-(3-Hydroxy-4-methoxyphenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 50905791
4-(4-Methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 50906007
4-(4-Methoxyphenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)-azetidin-2-one
CID 50906008
4-(4-Methoxyphenyl)-3,3-dimethyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 50906009
[2-methoxy-5-[(2R,3S)-4-oxo-3-phenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-yl]phenyl] dihydrogen phosphate
CID 71109466
(4S)-4-(3-fluoro-4-methoxyphenyl)-3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 131974325

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-naphthalen-1-yl-3-phenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The IUPAC name of (3R,4S)-4-naphthalen-1-yl-3-phenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one (CID 56683736) is (3R,4S)-4-naphthalen-1-yl-3-phenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one.
What is the SMILES notation for (3R,4S)-4-naphthalen-1-yl-3-phenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The canonical SMILES for (3R,4S)-4-naphthalen-1-yl-3-phenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one is COc1cc(N2C(=O)[C@H](c3ccccc3)[C@H]2c2cccc3ccccc23)cc(OC)c1OC.
What is the InChIKey of (3R,4S)-4-naphthalen-1-yl-3-phenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The InChIKey is SIQMLKKWJPMXHD-CLJLJLNGSA-N. The full InChI is InChI=1S/C28H25NO4/c1-31-23-16-20(17-24(32-2)27(23)33-3)29-26(25(28(29)30)19-11-5-4-6-12-19)22-15-9-13-18-10-7-8-14-21(18)22/h4-17,25-26H,1-3H3/t25-,26-/m1/s1.
What are the key properties of (3R,4S)-4-naphthalen-1-yl-3-phenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
(3R,4S)-4-naphthalen-1-yl-3-phenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one has a molecular weight of 439.51 g/mol, XLogP of 5.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-naphthalen-1-yl-3-phenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one is sourced from PubChem (CID 56683736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).