(3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one

C26H27NO4 — CID 11661663

IUPAC(3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one
SMILESCOc1ccc([C@H]2N(c3ccc(OC)cc3)C(=O)[C@]2(O)CCCc2ccccc2)cc1
InChIInChI=1S/C26H27NO4/c1-30-22-14-10-20(11-15-22)24-26(29,18-6-9-19-7-4-3-5-8-19)25(28)27(24)21-12-16-23(31-2)17-13-21/h3-5,7-8,10-17,24,29H,6,9,18H2,1-2H3/t24-,26+/m1/s1
InChIKeyGGSTZYQWQGPRKS-RSXGOPAZSA-N
MW417.51 g/mol
LogP4.55
Rot. Bonds8

About (3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one

(3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one (PubChem CID 11661663) has the molecular formula C26H27NO4 and a molecular weight of 417.51 g/mol. Its IUPAC name is (3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one
PubChem CID11661663
Molecular FormulaC26H27NO4
Molecular Weight417.51 g/mol
Exact Mass417.19
IUPAC Name(3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one
SMILESCOc1ccc([C@H]2N(c3ccc(OC)cc3)C(=O)[C@]2(O)CCCc2ccccc2)cc1
InChIInChI=1S/C26H27NO4/c1-30-22-14-10-20(11-15-22)24-26(29,18-6-9-19-7-4-3-5-8-19)25(28)27(24)21-12-16-23(31-2)17-13-21/h3-5,7-8,10-17,24,29H,6,9,18H2,1-2H3/t24-,26+/m1/s1
InChIKeyGGSTZYQWQGPRKS-RSXGOPAZSA-N
XLogP4.55
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4R)-3-hydroxy-4-(4-methoxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one
CID 102159226
(3S,4R)-3-fluoro-4-(4-methoxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one
CID 10644055
(3R,4R)-1,4-bis(4-methoxyphenyl)-3-(4-phenylbutyl)azetidin-2-one
CID 102000373
(4R)-3,4-bis(4-methoxyphenyl)-5-(3-phenylpropyl)-1,3-oxazolidin-2-one
CID 25064172
(3S,4R)-4-(4-methoxyphenyl)-1-phenyl-3-(2-phenylethylsulfanyl)azetidin-2-one
CID 10691765
(4R)-3,3-difluoro-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 1217499
(3S,4R)-3-benzylsulfanyl-3-methoxy-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 101404324
N-[4-[(2S,3R)-1-(4-methoxyphenyl)-4-oxo-3-(3-phenylpropyl)azetidin-2-yl]phenyl]acetamide
CID 10717429
(3R,4S)-1-(4-methoxyphenyl)-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(3-phenylpropyl)azetidin-2-one
CID 10646916
(3R,4S)-3-benzyl-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 54114179
(3R,4S)-1-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-3-(3-phenylpropyl)azetidin-2-one
CID 10671216
5-(1-hydroxy-3-phenylpropyl)-3,4-bis(4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 69170299

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one?
The IUPAC name of (3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one (CID 11661663) is (3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one.
What is the SMILES notation for (3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one?
The canonical SMILES for (3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one is COc1ccc([C@H]2N(c3ccc(OC)cc3)C(=O)[C@]2(O)CCCc2ccccc2)cc1.
What is the InChIKey of (3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one?
The InChIKey is GGSTZYQWQGPRKS-RSXGOPAZSA-N. The full InChI is InChI=1S/C26H27NO4/c1-30-22-14-10-20(11-15-22)24-26(29,18-6-9-19-7-4-3-5-8-19)25(28)27(24)21-12-16-23(31-2)17-13-21/h3-5,7-8,10-17,24,29H,6,9,18H2,1-2H3/t24-,26+/m1/s1.
What are the key properties of (3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one?
(3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one has a molecular weight of 417.51 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one is sourced from PubChem (CID 11661663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).