1-[(2R,3S)-1-(4-methoxyphenyl)-2-[(2R,3S)-1-(4-methoxyphenyl)-4-oxo-3-phenoxyazetidin-2-yl]-4-oxoazetidin-3-yl]pyrrole-2,5-dione

C30H25N3O7 — CID 10347209

IUPAC1-[(2R,3S)-1-(4-methoxyphenyl)-2-[(2R,3S)-1-(4-methoxyphenyl)-4-oxo-3-phenoxyazetidin-2-yl]-4-oxoazetidin-3-yl]pyrrole-2,5-dione
SMILESCOc1ccc(N2C(=O)[C@@H](Oc3ccccc3)[C@H]2[C@@H]2[C@H](N3C(=O)C=CC3=O)C(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C30H25N3O7/c1-38-20-12-8-18(9-13-20)31-25(27(29(31)36)33-23(34)16-17-24(33)35)26-28(40-22-6-4-3-5-7-22)30(37)32(26)19-10-14-21(39-2)15-11-19/h3-17,25-28H,1-2H3/t25-,26-,27+,28+/m1/s1
InChIKeyJZSZKZJAXYVWHK-VIJSPRBVSA-N
MW539.54 g/mol
LogP2.58
Rot. Bonds8

About 1-[(2R,3S)-1-(4-methoxyphenyl)-2-[(2R,3S)-1-(4-methoxyphenyl)-4-oxo-3-phenoxyazetidin-2-yl]-4-oxoazetidin-3-yl]pyrrole-2,5-dione

1-[(2R,3S)-1-(4-methoxyphenyl)-2-[(2R,3S)-1-(4-methoxyphenyl)-4-oxo-3-phenoxyazetidin-2-yl]-4-oxoazetidin-3-yl]pyrrole-2,5-dione (PubChem CID 10347209) has the molecular formula C30H25N3O7 and a molecular weight of 539.54 g/mol. Its IUPAC name is 1-[(2R,3S)-1-(4-methoxyphenyl)-2-[(2R,3S)-1-(4-methoxyphenyl)-4-oxo-3-phenoxyazetidin-2-yl]-4-oxoazetidin-3-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(2R,3S)-1-(4-methoxyphenyl)-2-[(2R,3S)-1-(4-methoxyphenyl)-4-oxo-3-phenoxyazetidin-2-yl]-4-oxoazetidin-3-yl]pyrrole-2,5-dione
PubChem CID10347209
Molecular FormulaC30H25N3O7
Molecular Weight539.54 g/mol
Exact Mass539.17
IUPAC Name1-[(2R,3S)-1-(4-methoxyphenyl)-2-[(2R,3S)-1-(4-methoxyphenyl)-4-oxo-3-phenoxyazetidin-2-yl]-4-oxoazetidin-3-yl]pyrrole-2,5-dione
SMILESCOc1ccc(N2C(=O)[C@@H](Oc3ccccc3)[C@H]2[C@@H]2[C@H](N3C(=O)C=CC3=O)C(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C30H25N3O7/c1-38-20-12-8-18(9-13-20)31-25(27(29(31)36)33-23(34)16-17-24(33)35)26-28(40-22-6-4-3-5-7-22)30(37)32(26)19-10-14-21(39-2)15-11-19/h3-17,25-28H,1-2H3/t25-,26-,27+,28+/m1/s1
InChIKeyJZSZKZJAXYVWHK-VIJSPRBVSA-N
XLogP2.58
TPSA105.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.54
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3S,3aS,6S,6aR)-1,4-bis(4-methoxyphenyl)-3-methyl-6-phenoxy-3,3a,6,6a-tetrahydropyrrolo[3,2-b]pyrrole-2,5-dione
CID 10389432
(3R,4S)-3-methoxy-4-[(2S,3R)-3-methoxy-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl]-1-(4-methoxyphenyl)azetidin-2-one
CID 102496056
4-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-3-phenoxyazetidin-2-one
CID 135013406
(3S,4R)-1-(4-methoxyphenyl)-4-(2-nitrophenyl)-3-phenoxyazetidin-2-one
CID 11523958
[(2R,3S)-3-(2,5-dioxopyrrol-1-yl)-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl] formate
CID 15778075
(3S,4R)-4-(3-hydroxy-4-methoxyphenyl)-1-(4-methoxyphenyl)-3-phenoxyazetidin-2-one
CID 127025522
(3R,4S)-4-[(1S)-1-hydroxy-3-oxobutyl]-1-(4-methoxyphenyl)-3-phenoxyazetidin-2-one
CID 139089949
(3S,4R)-3-(4-hydroxyphenoxy)-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 102273364
(3R,4S)-3-(4-hydroxyphenoxy)-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 102273363
N-tert-butyl-2-hydroxy-2-[1-(4-methoxyphenyl)-4-oxo-3-phenoxyazetidin-2-yl]acetamide
CID 102220426
(3R,4S)-1,4-bis(4-methoxyphenyl)-3-phenylazetidin-2-one
CID 101388237
(2S,3S)-3-(4-chlorophenoxy)-1-(4-methoxyphenyl)-4-oxoazetidine-2-carbaldehyde
CID 15866249

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S)-1-(4-methoxyphenyl)-2-[(2R,3S)-1-(4-methoxyphenyl)-4-oxo-3-phenoxyazetidin-2-yl]-4-oxoazetidin-3-yl]pyrrole-2,5-dione?
The IUPAC name of 1-[(2R,3S)-1-(4-methoxyphenyl)-2-[(2R,3S)-1-(4-methoxyphenyl)-4-oxo-3-phenoxyazetidin-2-yl]-4-oxoazetidin-3-yl]pyrrole-2,5-dione (CID 10347209) is 1-[(2R,3S)-1-(4-methoxyphenyl)-2-[(2R,3S)-1-(4-methoxyphenyl)-4-oxo-3-phenoxyazetidin-2-yl]-4-oxoazetidin-3-yl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[(2R,3S)-1-(4-methoxyphenyl)-2-[(2R,3S)-1-(4-methoxyphenyl)-4-oxo-3-phenoxyazetidin-2-yl]-4-oxoazetidin-3-yl]pyrrole-2,5-dione?
The canonical SMILES for 1-[(2R,3S)-1-(4-methoxyphenyl)-2-[(2R,3S)-1-(4-methoxyphenyl)-4-oxo-3-phenoxyazetidin-2-yl]-4-oxoazetidin-3-yl]pyrrole-2,5-dione is COc1ccc(N2C(=O)[C@@H](Oc3ccccc3)[C@H]2[C@@H]2[C@H](N3C(=O)C=CC3=O)C(=O)N2c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-[(2R,3S)-1-(4-methoxyphenyl)-2-[(2R,3S)-1-(4-methoxyphenyl)-4-oxo-3-phenoxyazetidin-2-yl]-4-oxoazetidin-3-yl]pyrrole-2,5-dione?
The InChIKey is JZSZKZJAXYVWHK-VIJSPRBVSA-N. The full InChI is InChI=1S/C30H25N3O7/c1-38-20-12-8-18(9-13-20)31-25(27(29(31)36)33-23(34)16-17-24(33)35)26-28(40-22-6-4-3-5-7-22)30(37)32(26)19-10-14-21(39-2)15-11-19/h3-17,25-28H,1-2H3/t25-,26-,27+,28+/m1/s1.
What are the key properties of 1-[(2R,3S)-1-(4-methoxyphenyl)-2-[(2R,3S)-1-(4-methoxyphenyl)-4-oxo-3-phenoxyazetidin-2-yl]-4-oxoazetidin-3-yl]pyrrole-2,5-dione?
1-[(2R,3S)-1-(4-methoxyphenyl)-2-[(2R,3S)-1-(4-methoxyphenyl)-4-oxo-3-phenoxyazetidin-2-yl]-4-oxoazetidin-3-yl]pyrrole-2,5-dione has a molecular weight of 539.54 g/mol, XLogP of 2.58, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S)-1-(4-methoxyphenyl)-2-[(2R,3S)-1-(4-methoxyphenyl)-4-oxo-3-phenoxyazetidin-2-yl]-4-oxoazetidin-3-yl]pyrrole-2,5-dione is sourced from PubChem (CID 10347209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).