[(2R,3S)-2-(4-methoxyphenyl)-1-[(Z)-(4-methoxyphenyl)methylideneamino]-4-oxoazetidin-3-yl] acetate

C20H20N2O5 — CID 10339013

IUPAC[(2R,3S)-2-(4-methoxyphenyl)-1-[(Z)-(4-methoxyphenyl)methylideneamino]-4-oxoazetidin-3-yl] acetate
SMILESCOc1ccc(/C=N\N2C(=O)[C@@H](OC(C)=O)[C@H]2c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H20N2O5/c1-13(23)27-19-18(15-6-10-17(26-3)11-7-15)22(20(19)24)21-12-14-4-8-16(25-2)9-5-14/h4-12,18-19H,1-3H3/b21-12-/t18-,19+/m1/s1
InChIKeyUJMKXKUDTGBHBW-QSNGXNAISA-N
MW368.39 g/mol
LogP2.55
Rot. Bonds6

About [(2R,3S)-2-(4-methoxyphenyl)-1-[(Z)-(4-methoxyphenyl)methylideneamino]-4-oxoazetidin-3-yl] acetate

[(2R,3S)-2-(4-methoxyphenyl)-1-[(Z)-(4-methoxyphenyl)methylideneamino]-4-oxoazetidin-3-yl] acetate (PubChem CID 10339013) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is [(2R,3S)-2-(4-methoxyphenyl)-1-[(Z)-(4-methoxyphenyl)methylideneamino]-4-oxoazetidin-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3S)-2-(4-methoxyphenyl)-1-[(Z)-(4-methoxyphenyl)methylideneamino]-4-oxoazetidin-3-yl] acetate
PubChem CID10339013
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name[(2R,3S)-2-(4-methoxyphenyl)-1-[(Z)-(4-methoxyphenyl)methylideneamino]-4-oxoazetidin-3-yl] acetate
SMILESCOc1ccc(/C=N\N2C(=O)[C@@H](OC(C)=O)[C@H]2c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H20N2O5/c1-13(23)27-19-18(15-6-10-17(26-3)11-7-15)22(20(19)24)21-12-14-4-8-16(25-2)9-5-14/h4-12,18-19H,1-3H3/b21-12-/t18-,19+/m1/s1
InChIKeyUJMKXKUDTGBHBW-QSNGXNAISA-N
XLogP2.55
TPSA77.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze [(2R,3S)-2-(4-methoxyphenyl)-1-[(Z)-(4-methoxyphenyl)methylideneamino]-4-oxoazetidin-3-yl] acetate with MolForge

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Related Compounds

(3S,4S)-3-methoxy-4-(4-methoxyphenyl)-1-[(Z)-(4-methoxyphenyl)methylideneamino]azetidin-2-one
CID 10472413
[1-[(2R,3S)-2,3-bis(4-methoxyphenyl)aziridin-2-yl]-2-(4-methoxyphenyl)-4-oxoazetidin-3-yl] acetate
CID 22853374
(3S,4R)-4-(4-methoxyphenyl)-1-[(E)-(4-methoxyphenyl)methylideneamino]-3-methyl-3-phenylmethoxyazetidin-2-one
CID 10365392
(1R,2S,6S,7R)-4-[(Z)-(4-methoxyphenyl)methylideneamino]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 124539741
(2R)-2-(4-methoxyphenyl)-3-[(Z)-(4-methoxyphenyl)methylideneamino]-2H-1,3-benzoxazin-4-one
CID 7574533
(1S,2S,6R,7R)-4-[(Z)-(4-methoxyphenyl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 5394301
CID 177396976
CID 177396976
3-[(4-methoxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1352277
3-[(E)-(4-methoxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 5341305
5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-1-[4-(methoxyiminomethyl)phenyl]pyrrolidine-2,3-dione
CID 123175391
(1R,2S,6S,7R,8S,10S)-4-[(E)-(4-methoxyphenyl)methylideneamino]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 98078501
[(2S,3R)-3-(2-fluoroethyl)-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl] acetate
CID 70441203

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-(4-methoxyphenyl)-1-[(Z)-(4-methoxyphenyl)methylideneamino]-4-oxoazetidin-3-yl] acetate?
The IUPAC name of [(2R,3S)-2-(4-methoxyphenyl)-1-[(Z)-(4-methoxyphenyl)methylideneamino]-4-oxoazetidin-3-yl] acetate (CID 10339013) is [(2R,3S)-2-(4-methoxyphenyl)-1-[(Z)-(4-methoxyphenyl)methylideneamino]-4-oxoazetidin-3-yl] acetate.
What is the SMILES notation for [(2R,3S)-2-(4-methoxyphenyl)-1-[(Z)-(4-methoxyphenyl)methylideneamino]-4-oxoazetidin-3-yl] acetate?
The canonical SMILES for [(2R,3S)-2-(4-methoxyphenyl)-1-[(Z)-(4-methoxyphenyl)methylideneamino]-4-oxoazetidin-3-yl] acetate is COc1ccc(/C=N\N2C(=O)[C@@H](OC(C)=O)[C@H]2c2ccc(OC)cc2)cc1.
What is the InChIKey of [(2R,3S)-2-(4-methoxyphenyl)-1-[(Z)-(4-methoxyphenyl)methylideneamino]-4-oxoazetidin-3-yl] acetate?
The InChIKey is UJMKXKUDTGBHBW-QSNGXNAISA-N. The full InChI is InChI=1S/C20H20N2O5/c1-13(23)27-19-18(15-6-10-17(26-3)11-7-15)22(20(19)24)21-12-14-4-8-16(25-2)9-5-14/h4-12,18-19H,1-3H3/b21-12-/t18-,19+/m1/s1.
What are the key properties of [(2R,3S)-2-(4-methoxyphenyl)-1-[(Z)-(4-methoxyphenyl)methylideneamino]-4-oxoazetidin-3-yl] acetate?
[(2R,3S)-2-(4-methoxyphenyl)-1-[(Z)-(4-methoxyphenyl)methylideneamino]-4-oxoazetidin-3-yl] acetate has a molecular weight of 368.39 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2-(4-methoxyphenyl)-1-[(Z)-(4-methoxyphenyl)methylideneamino]-4-oxoazetidin-3-yl] acetate is sourced from PubChem (CID 10339013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).