(2R,5S,6R)-2-[(2S,3R)-2-(4-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl]oxy-2,4,5-trimethyl-6-phenylmorpholin-3-one

C29H30N2O5 — CID 23250645

IUPAC(2R,5S,6R)-2-[(2S,3R)-2-(4-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl]oxy-2,4,5-trimethyl-6-phenylmorpholin-3-one
SMILESCOc1ccc([C@H]2[C@@H](O[C@@]3(C)O[C@H](c4ccccc4)[C@H](C)N(C)C3=O)C(=O)N2c2ccccc2)cc1
InChIInChI=1S/C29H30N2O5/c1-19-25(21-11-7-5-8-12-21)35-29(2,28(33)30(19)3)36-26-24(20-15-17-23(34-4)18-16-20)31(27(26)32)22-13-9-6-10-14-22/h5-19,24-26H,1-4H3/t19-,24-,25-,26+,29+/m0/s1
InChIKeyXFEIHNAKKAOOLN-CXJAPECMSA-N
MW486.57 g/mol
LogP4.50
Rot. Bonds6

About (2R,5S,6R)-2-[(2S,3R)-2-(4-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl]oxy-2,4,5-trimethyl-6-phenylmorpholin-3-one

(2R,5S,6R)-2-[(2S,3R)-2-(4-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl]oxy-2,4,5-trimethyl-6-phenylmorpholin-3-one (PubChem CID 23250645) has the molecular formula C29H30N2O5 and a molecular weight of 486.57 g/mol. Its IUPAC name is (2R,5S,6R)-2-[(2S,3R)-2-(4-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl]oxy-2,4,5-trimethyl-6-phenylmorpholin-3-one.

Molecular Properties

Compound Name(2R,5S,6R)-2-[(2S,3R)-2-(4-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl]oxy-2,4,5-trimethyl-6-phenylmorpholin-3-one
PubChem CID23250645
Molecular FormulaC29H30N2O5
Molecular Weight486.57 g/mol
Exact Mass486.22
IUPAC Name(2R,5S,6R)-2-[(2S,3R)-2-(4-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl]oxy-2,4,5-trimethyl-6-phenylmorpholin-3-one
SMILESCOc1ccc([C@H]2[C@@H](O[C@@]3(C)O[C@H](c4ccccc4)[C@H](C)N(C)C3=O)C(=O)N2c2ccccc2)cc1
InChIInChI=1S/C29H30N2O5/c1-19-25(21-11-7-5-8-12-21)35-29(2,28(33)30(19)3)36-26-24(20-15-17-23(34-4)18-16-20)31(27(26)32)22-13-9-6-10-14-22/h5-19,24-26H,1-4H3/t19-,24-,25-,26+,29+/m0/s1
InChIKeyXFEIHNAKKAOOLN-CXJAPECMSA-N
XLogP4.50
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R,5S,6R)-2-[(2S,3R)-2-(4-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl]oxy-2,4,5-trimethyl-6-phenylmorpholin-3-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

(2S,6S)-2-[(2R,3S)-2-(4-butoxyphenyl)-1-(4-fluorophenyl)-4-oxoazetidin-3-yl]oxy-2,4,5-trimethyl-6-phenylmorpholin-3-one
CID 71156320
(2R,5S,6R)-2-[(2R,3S)-2-(4-bromo-2-butoxyphenyl)-4-oxo-1-phenylazetidin-3-yl]oxy-2,4,5-trimethyl-6-phenylmorpholin-3-one
CID 70994967
3-amino-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 12545415
(3R,4S)-1,4-bis(4-methoxyphenyl)-3-phenylazetidin-2-one
CID 101388237
(3R,4R)-3-[tert-butyl(diphenyl)silyl]oxy-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 15262819
(3S,4R)-3-ethenyl-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 14068192
3-(2-chloroethyl)-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 10852860
(3R,4R)-1,4-bis(4-methoxyphenyl)-3-phenylsulfanylazetidin-2-one
CID 101226583
(3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 11392395
(3S,4R)-3-methoxy-1-(4-methoxyphenyl)-4-(4-methylphenyl)azetidin-2-one
CID 102052302
(3R,4S)-1-(4-methoxyphenyl)-4-phenyl-3-prop-1-en-2-ylazetidin-2-one
CID 100945342
(3R,4S)-3-[(Z)-2-methoxyethenyl]-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 102251895

Frequently Asked Questions

What is the IUPAC name of (2R,5S,6R)-2-[(2S,3R)-2-(4-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl]oxy-2,4,5-trimethyl-6-phenylmorpholin-3-one?
The IUPAC name of (2R,5S,6R)-2-[(2S,3R)-2-(4-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl]oxy-2,4,5-trimethyl-6-phenylmorpholin-3-one (CID 23250645) is (2R,5S,6R)-2-[(2S,3R)-2-(4-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl]oxy-2,4,5-trimethyl-6-phenylmorpholin-3-one.
What is the SMILES notation for (2R,5S,6R)-2-[(2S,3R)-2-(4-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl]oxy-2,4,5-trimethyl-6-phenylmorpholin-3-one?
The canonical SMILES for (2R,5S,6R)-2-[(2S,3R)-2-(4-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl]oxy-2,4,5-trimethyl-6-phenylmorpholin-3-one is COc1ccc([C@H]2[C@@H](O[C@@]3(C)O[C@H](c4ccccc4)[C@H](C)N(C)C3=O)C(=O)N2c2ccccc2)cc1.
What is the InChIKey of (2R,5S,6R)-2-[(2S,3R)-2-(4-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl]oxy-2,4,5-trimethyl-6-phenylmorpholin-3-one?
The InChIKey is XFEIHNAKKAOOLN-CXJAPECMSA-N. The full InChI is InChI=1S/C29H30N2O5/c1-19-25(21-11-7-5-8-12-21)35-29(2,28(33)30(19)3)36-26-24(20-15-17-23(34-4)18-16-20)31(27(26)32)22-13-9-6-10-14-22/h5-19,24-26H,1-4H3/t19-,24-,25-,26+,29+/m0/s1.
What are the key properties of (2R,5S,6R)-2-[(2S,3R)-2-(4-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl]oxy-2,4,5-trimethyl-6-phenylmorpholin-3-one?
(2R,5S,6R)-2-[(2S,3R)-2-(4-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl]oxy-2,4,5-trimethyl-6-phenylmorpholin-3-one has a molecular weight of 486.57 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S,6R)-2-[(2S,3R)-2-(4-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl]oxy-2,4,5-trimethyl-6-phenylmorpholin-3-one is sourced from PubChem (CID 23250645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).