(3R,4R)-4-[4-(dimethylamino)phenyl]-1-(3-hydroxyphenyl)-3-phenylazetidin-2-one

C23H22N2O2 — CID 56595119

IUPAC(3R,4R)-4-[4-(dimethylamino)phenyl]-1-(3-hydroxyphenyl)-3-phenylazetidin-2-one
SMILESCN(C)c1ccc([C@H]2[C@@H](c3ccccc3)C(=O)N2c2cccc(O)c2)cc1
InChIInChI=1S/C23H22N2O2/c1-24(2)18-13-11-17(12-14-18)22-21(16-7-4-3-5-8-16)23(27)25(22)19-9-6-10-20(26)15-19/h3-15,21-22,26H,1-2H3/t21-,22+/m1/s1
InChIKeyYLVVMGLVDFSNDN-YADHBBJMSA-N
MW358.44 g/mol
LogP4.33
Rot. Bonds4

About (3R,4R)-4-[4-(dimethylamino)phenyl]-1-(3-hydroxyphenyl)-3-phenylazetidin-2-one

(3R,4R)-4-[4-(dimethylamino)phenyl]-1-(3-hydroxyphenyl)-3-phenylazetidin-2-one (PubChem CID 56595119) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is (3R,4R)-4-[4-(dimethylamino)phenyl]-1-(3-hydroxyphenyl)-3-phenylazetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-4-[4-(dimethylamino)phenyl]-1-(3-hydroxyphenyl)-3-phenylazetidin-2-one
PubChem CID56595119
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name(3R,4R)-4-[4-(dimethylamino)phenyl]-1-(3-hydroxyphenyl)-3-phenylazetidin-2-one
SMILESCN(C)c1ccc([C@H]2[C@@H](c3ccccc3)C(=O)N2c2cccc(O)c2)cc1
InChIInChI=1S/C23H22N2O2/c1-24(2)18-13-11-17(12-14-18)22-21(16-7-4-3-5-8-16)23(27)25(22)19-9-6-10-20(26)15-19/h3-15,21-22,26H,1-2H3/t21-,22+/m1/s1
InChIKeyYLVVMGLVDFSNDN-YADHBBJMSA-N
XLogP4.33
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(3S,4R)-4-(4-chlorophenyl)-1,3-diphenylazetidin-2-one
CID 71385795
(3R,4S)-1,4-bis(4-methoxyphenyl)-3-phenylazetidin-2-one
CID 101388237
3-(3-hydroxyphenyl)-4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 53246000
(3S,4S)-4-(3-nitrophenyl)-1,3-diphenylazetidin-2-one
CID 102287574
4-[4-(dimethylamino)phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol
CID 170446454
(3S,4S)-4-naphthalen-1-yl-1,3-diphenylazetidin-2-one
CID 102273655
4-(4-fluorophenyl)-1-(4-iodophenyl)-3-phenylazetidin-2-one
CID 15159091
1-(4-bromophenyl)-4-(4-nitrophenyl)-3-phenylazetidin-2-one
CID 15159107
(3R,3aR,6aR)-3-[4-(dimethylamino)phenyl]-2,5-diphenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 99735447
(3R,4S)-3-hydroxy-1,4-diphenylazetidin-2-one
CID 11424956
(2S)-2-[4-(dimethylamino)phenyl]-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 1009074
3-chloro-1-[3-[[2-[3-[3-chloro-2-[4-(dimethylamino)phenyl]-4-oxoazetidin-1-yl]phenyl]-4,5-dihydroimidazol-1-yl]methyl]phenyl]-4-[4-(dimethylamino)phenyl]azetidin-2-one
CID 139224942

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[4-(dimethylamino)phenyl]-1-(3-hydroxyphenyl)-3-phenylazetidin-2-one?
The IUPAC name of (3R,4R)-4-[4-(dimethylamino)phenyl]-1-(3-hydroxyphenyl)-3-phenylazetidin-2-one (CID 56595119) is (3R,4R)-4-[4-(dimethylamino)phenyl]-1-(3-hydroxyphenyl)-3-phenylazetidin-2-one.
What is the SMILES notation for (3R,4R)-4-[4-(dimethylamino)phenyl]-1-(3-hydroxyphenyl)-3-phenylazetidin-2-one?
The canonical SMILES for (3R,4R)-4-[4-(dimethylamino)phenyl]-1-(3-hydroxyphenyl)-3-phenylazetidin-2-one is CN(C)c1ccc([C@H]2[C@@H](c3ccccc3)C(=O)N2c2cccc(O)c2)cc1.
What is the InChIKey of (3R,4R)-4-[4-(dimethylamino)phenyl]-1-(3-hydroxyphenyl)-3-phenylazetidin-2-one?
The InChIKey is YLVVMGLVDFSNDN-YADHBBJMSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-24(2)18-13-11-17(12-14-18)22-21(16-7-4-3-5-8-16)23(27)25(22)19-9-6-10-20(26)15-19/h3-15,21-22,26H,1-2H3/t21-,22+/m1/s1.
What are the key properties of (3R,4R)-4-[4-(dimethylamino)phenyl]-1-(3-hydroxyphenyl)-3-phenylazetidin-2-one?
(3R,4R)-4-[4-(dimethylamino)phenyl]-1-(3-hydroxyphenyl)-3-phenylazetidin-2-one has a molecular weight of 358.44 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[4-(dimethylamino)phenyl]-1-(3-hydroxyphenyl)-3-phenylazetidin-2-one is sourced from PubChem (CID 56595119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).