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

C25H25NO3 — CID 102159226

IUPAC(3S,4R)-3-hydroxy-4-(4-methoxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one
SMILESCOc1ccc([C@H]2N(c3ccccc3)C(=O)[C@]2(O)CCCc2ccccc2)cc1
InChIInChI=1S/C25H25NO3/c1-29-22-16-14-20(15-17-22)23-25(28,18-8-11-19-9-4-2-5-10-19)24(27)26(23)21-12-6-3-7-13-21/h2-7,9-10,12-17,23,28H,8,11,18H2,1H3/t23-,25+/m1/s1
InChIKeyXZDGFCBPULVHDI-NOZRDPDXSA-N
MW387.48 g/mol
LogP4.54
Rot. Bonds7

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

(3S,4R)-3-hydroxy-4-(4-methoxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one (PubChem CID 102159226) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is (3S,4R)-3-hydroxy-4-(4-methoxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-3-hydroxy-4-(4-methoxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one
PubChem CID102159226
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC Name(3S,4R)-3-hydroxy-4-(4-methoxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one
SMILESCOc1ccc([C@H]2N(c3ccccc3)C(=O)[C@]2(O)CCCc2ccccc2)cc1
InChIInChI=1S/C25H25NO3/c1-29-22-16-14-20(15-17-22)23-25(28,18-8-11-19-9-4-2-5-10-19)24(27)26(23)21-12-6-3-7-13-21/h2-7,9-10,12-17,23,28H,8,11,18H2,1H3/t23-,25+/m1/s1
InChIKeyXZDGFCBPULVHDI-NOZRDPDXSA-N
XLogP4.54
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S,4R)-3-hydroxy-4-(4-methoxyphenyl)-1-phenyl-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-1,4-bis(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one
CID 11661663
(3S,4R)-3-fluoro-4-(4-methoxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one
CID 10644055
(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
(3R,4R)-1,4-bis(4-methoxyphenyl)-3-(4-phenylbutyl)azetidin-2-one
CID 102000373
3-(1-hydroxy-3-phenylpropyl)-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 22460134
(4R)-3,4-bis(4-methoxyphenyl)-5-(3-phenylpropyl)-1,3-oxazolidin-2-one
CID 25064172
N-[4-[(2S,3R)-1-(4-methoxyphenyl)-4-oxo-3-(3-phenylpropyl)azetidin-2-yl]phenyl]acetamide
CID 10717429
(3S,4R)-3-benzylsulfanyl-3-methoxy-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 101404324
(3R,4S)-1-(4-methoxyphenyl)-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(3-phenylpropyl)azetidin-2-one
CID 10646916
(3R,4S)-1-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-3-(3-phenylpropyl)azetidin-2-one
CID 10671216
(3R,4S)-3-benzyl-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 54114179

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-hydroxy-4-(4-methoxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one?
The IUPAC name of (3S,4R)-3-hydroxy-4-(4-methoxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one (CID 102159226) is (3S,4R)-3-hydroxy-4-(4-methoxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one.
What is the SMILES notation for (3S,4R)-3-hydroxy-4-(4-methoxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one?
The canonical SMILES for (3S,4R)-3-hydroxy-4-(4-methoxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one is COc1ccc([C@H]2N(c3ccccc3)C(=O)[C@]2(O)CCCc2ccccc2)cc1.
What is the InChIKey of (3S,4R)-3-hydroxy-4-(4-methoxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one?
The InChIKey is XZDGFCBPULVHDI-NOZRDPDXSA-N. The full InChI is InChI=1S/C25H25NO3/c1-29-22-16-14-20(15-17-22)23-25(28,18-8-11-19-9-4-2-5-10-19)24(27)26(23)21-12-6-3-7-13-21/h2-7,9-10,12-17,23,28H,8,11,18H2,1H3/t23-,25+/m1/s1.
What are the key properties of (3S,4R)-3-hydroxy-4-(4-methoxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one?
(3S,4R)-3-hydroxy-4-(4-methoxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one has a molecular weight of 387.48 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-hydroxy-4-(4-methoxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one is sourced from PubChem (CID 102159226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).