(3R,4R)-4-(3-methoxyphenyl)-3-methyl-1,3-diphenylazetidin-2-one

C23H21NO2 — CID 11810064

IUPAC(3R,4R)-4-(3-methoxyphenyl)-3-methyl-1,3-diphenylazetidin-2-one
SMILESCOc1cccc([C@H]2N(c3ccccc3)C(=O)[C@]2(C)c2ccccc2)c1
InChIInChI=1S/C23H21NO2/c1-23(18-11-5-3-6-12-18)21(17-10-9-15-20(16-17)26-2)24(22(23)25)19-13-7-4-8-14-19/h3-16,21H,1-2H3/t21-,23-/m1/s1
InChIKeyRIGLYHMTLMOJAU-FYYLOGMGSA-N
MW343.43 g/mol
LogP4.74
Rot. Bonds4

About (3R,4R)-4-(3-methoxyphenyl)-3-methyl-1,3-diphenylazetidin-2-one

(3R,4R)-4-(3-methoxyphenyl)-3-methyl-1,3-diphenylazetidin-2-one (PubChem CID 11810064) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is (3R,4R)-4-(3-methoxyphenyl)-3-methyl-1,3-diphenylazetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-4-(3-methoxyphenyl)-3-methyl-1,3-diphenylazetidin-2-one
PubChem CID11810064
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Name(3R,4R)-4-(3-methoxyphenyl)-3-methyl-1,3-diphenylazetidin-2-one
SMILESCOc1cccc([C@H]2N(c3ccccc3)C(=O)[C@]2(C)c2ccccc2)c1
InChIInChI=1S/C23H21NO2/c1-23(18-11-5-3-6-12-18)21(17-10-9-15-20(16-17)26-2)24(22(23)25)19-13-7-4-8-14-19/h3-16,21H,1-2H3/t21-,23-/m1/s1
InChIKeyRIGLYHMTLMOJAU-FYYLOGMGSA-N
XLogP4.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2R,3R)-2-(4-methoxyphenyl)-3-methyl-4-oxo-1-phenylazetidin-3-yl]benzenediazonium
CID 11092078
3-(3-chlorophenyl)-4-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-methylazetidin-2-one
CID 58007393
(3S,4R)-3-(3-chlorophenyl)-4-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-methylazetidin-2-one
CID 68804778
4-[(2R,3R)-2-(4-methoxyphenyl)-3-methyl-4-oxo-1-phenylazetidin-3-yl]benzenediazonium;2,2,2-trifluoroacetate
CID 11092077
3-acetyl-4-hydroxy-2-(3-methoxyphenyl)-1-phenyl-2H-pyrrol-5-one
CID 134115145
(4R)-3,3-difluoro-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 1217499
(3R,4S)-3-amino-1,4-bis(3-methoxyphenyl)azetidin-2-one
CID 124503866
(4S)-3-(3-methoxyphenyl)-4-phenyl-1,3-oxazolidin-2-one
CID 34179074
(1R,4R)-2-(4-methoxyphenyl)-1-phenyl-7-oxa-2-azaspiro[3.4]octan-3-one
CID 101180542
(3S,4R)-1,3-bis(4-methoxyphenyl)-3-methylsulfanyl-4-phenylazetidin-2-one
CID 102160186
(3aS,6aR)-3-(3-methoxyphenyl)-5,5-dioxo-1-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one
CID 6560011
(3S,4R)-3-(4-methoxyphenyl)-1,4-diphenyl-3-(2-phenylprop-2-enyl)azetidin-2-one
CID 162417821

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(3-methoxyphenyl)-3-methyl-1,3-diphenylazetidin-2-one?
The IUPAC name of (3R,4R)-4-(3-methoxyphenyl)-3-methyl-1,3-diphenylazetidin-2-one (CID 11810064) is (3R,4R)-4-(3-methoxyphenyl)-3-methyl-1,3-diphenylazetidin-2-one.
What is the SMILES notation for (3R,4R)-4-(3-methoxyphenyl)-3-methyl-1,3-diphenylazetidin-2-one?
The canonical SMILES for (3R,4R)-4-(3-methoxyphenyl)-3-methyl-1,3-diphenylazetidin-2-one is COc1cccc([C@H]2N(c3ccccc3)C(=O)[C@]2(C)c2ccccc2)c1.
What is the InChIKey of (3R,4R)-4-(3-methoxyphenyl)-3-methyl-1,3-diphenylazetidin-2-one?
The InChIKey is RIGLYHMTLMOJAU-FYYLOGMGSA-N. The full InChI is InChI=1S/C23H21NO2/c1-23(18-11-5-3-6-12-18)21(17-10-9-15-20(16-17)26-2)24(22(23)25)19-13-7-4-8-14-19/h3-16,21H,1-2H3/t21-,23-/m1/s1.
What are the key properties of (3R,4R)-4-(3-methoxyphenyl)-3-methyl-1,3-diphenylazetidin-2-one?
(3R,4R)-4-(3-methoxyphenyl)-3-methyl-1,3-diphenylazetidin-2-one has a molecular weight of 343.43 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(3-methoxyphenyl)-3-methyl-1,3-diphenylazetidin-2-one is sourced from PubChem (CID 11810064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).