ethyl 4-[(2R,3R)-3-(4-methoxyphenoxy)-2-(2-methoxyphenyl)-4-oxoazetidin-1-yl]benzoate

C26H25NO6 — CID 1314163

IUPACethyl 4-[(2R,3R)-3-(4-methoxyphenoxy)-2-(2-methoxyphenyl)-4-oxoazetidin-1-yl]benzoate
SMILESCCOC(=O)c1ccc(N2C(=O)[C@H](Oc3ccc(OC)cc3)[C@H]2c2ccccc2OC)cc1
InChIInChI=1S/C26H25NO6/c1-4-32-26(29)17-9-11-18(12-10-17)27-23(21-7-5-6-8-22(21)31-3)24(25(27)28)33-20-15-13-19(30-2)14-16-20/h5-16,23-24H,4H2,1-3H3/t23-,24-/m1/s1
InChIKeyVXNKSSUFQWLFIW-DNQXCXABSA-N
MW447.49 g/mol
LogP4.42
Rot. Bonds8

About ethyl 4-[(2R,3R)-3-(4-methoxyphenoxy)-2-(2-methoxyphenyl)-4-oxoazetidin-1-yl]benzoate

ethyl 4-[(2R,3R)-3-(4-methoxyphenoxy)-2-(2-methoxyphenyl)-4-oxoazetidin-1-yl]benzoate (PubChem CID 1314163) has the molecular formula C26H25NO6 and a molecular weight of 447.49 g/mol. Its IUPAC name is ethyl 4-[(2R,3R)-3-(4-methoxyphenoxy)-2-(2-methoxyphenyl)-4-oxoazetidin-1-yl]benzoate.

Molecular Properties

Compound Nameethyl 4-[(2R,3R)-3-(4-methoxyphenoxy)-2-(2-methoxyphenyl)-4-oxoazetidin-1-yl]benzoate
PubChem CID1314163
Molecular FormulaC26H25NO6
Molecular Weight447.49 g/mol
Exact Mass447.17
IUPAC Nameethyl 4-[(2R,3R)-3-(4-methoxyphenoxy)-2-(2-methoxyphenyl)-4-oxoazetidin-1-yl]benzoate
SMILESCCOC(=O)c1ccc(N2C(=O)[C@H](Oc3ccc(OC)cc3)[C@H]2c2ccccc2OC)cc1
InChIInChI=1S/C26H25NO6/c1-4-32-26(29)17-9-11-18(12-10-17)27-23(21-7-5-6-8-22(21)31-3)24(25(27)28)33-20-15-13-19(30-2)14-16-20/h5-16,23-24H,4H2,1-3H3/t23-,24-/m1/s1
InChIKeyVXNKSSUFQWLFIW-DNQXCXABSA-N
XLogP4.42
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[(2R,3R)-3-(4-methoxyphenoxy)-2-(2-methoxyphenyl)-4-oxoazetidin-1-yl]benzoate with MolForge

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Related Compounds

ethyl 4-[(2S,3S)-3-(4-chloro-2-methylphenoxy)-2-(2-methoxyphenyl)-4-oxoazetidin-1-yl]benzoate
CID 1046342
[(2R,3S)-2-(2-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl] acetate
CID 10903010
(3S,4R)-1-(4-methoxyphenyl)-4-(2-nitrophenyl)-3-phenoxyazetidin-2-one
CID 11523958
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
4-[(2S,3R)-2-(2-hydroxyphenyl)-4-oxo-3-phenoxyazetidin-1-yl]benzoic acid
CID 54498829
ethyl 4-[2-(4-aminooxy-2-methoxyphenyl)-3-benzoyl-4,5-dioxopyrrolidin-1-yl]benzoate
CID 123653337
4-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-3-phenoxyazetidin-2-one
CID 135013406
(3S,4R)-4-(3-hydroxy-4-methoxyphenyl)-1-(4-methoxyphenyl)-3-phenoxyazetidin-2-one
CID 127025522
ethyl 4-[(3R,3aR,6aS)-3-(2,4-dimethoxyphenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate
CID 51579042
(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
ethyl 4-[(3S)-3-(4-methoxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoate
CID 1147346

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2R,3R)-3-(4-methoxyphenoxy)-2-(2-methoxyphenyl)-4-oxoazetidin-1-yl]benzoate?
The IUPAC name of ethyl 4-[(2R,3R)-3-(4-methoxyphenoxy)-2-(2-methoxyphenyl)-4-oxoazetidin-1-yl]benzoate (CID 1314163) is ethyl 4-[(2R,3R)-3-(4-methoxyphenoxy)-2-(2-methoxyphenyl)-4-oxoazetidin-1-yl]benzoate.
What is the SMILES notation for ethyl 4-[(2R,3R)-3-(4-methoxyphenoxy)-2-(2-methoxyphenyl)-4-oxoazetidin-1-yl]benzoate?
The canonical SMILES for ethyl 4-[(2R,3R)-3-(4-methoxyphenoxy)-2-(2-methoxyphenyl)-4-oxoazetidin-1-yl]benzoate is CCOC(=O)c1ccc(N2C(=O)[C@H](Oc3ccc(OC)cc3)[C@H]2c2ccccc2OC)cc1.
What is the InChIKey of ethyl 4-[(2R,3R)-3-(4-methoxyphenoxy)-2-(2-methoxyphenyl)-4-oxoazetidin-1-yl]benzoate?
The InChIKey is VXNKSSUFQWLFIW-DNQXCXABSA-N. The full InChI is InChI=1S/C26H25NO6/c1-4-32-26(29)17-9-11-18(12-10-17)27-23(21-7-5-6-8-22(21)31-3)24(25(27)28)33-20-15-13-19(30-2)14-16-20/h5-16,23-24H,4H2,1-3H3/t23-,24-/m1/s1.
What are the key properties of ethyl 4-[(2R,3R)-3-(4-methoxyphenoxy)-2-(2-methoxyphenyl)-4-oxoazetidin-1-yl]benzoate?
ethyl 4-[(2R,3R)-3-(4-methoxyphenoxy)-2-(2-methoxyphenyl)-4-oxoazetidin-1-yl]benzoate has a molecular weight of 447.49 g/mol, XLogP of 4.42, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2R,3R)-3-(4-methoxyphenoxy)-2-(2-methoxyphenyl)-4-oxoazetidin-1-yl]benzoate is sourced from PubChem (CID 1314163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).