(3S,4S)-3-methoxy-4-(4-methoxyphenyl)-1-[(Z)-(4-methoxyphenyl)methylideneamino]azetidin-2-one

C19H20N2O4 — CID 10472413

IUPAC(3S,4S)-3-methoxy-4-(4-methoxyphenyl)-1-[(Z)-(4-methoxyphenyl)methylideneamino]azetidin-2-one
SMILESCOc1ccc(/C=N\N2C(=O)[C@@H](OC)[C@@H]2c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H20N2O4/c1-23-15-8-4-13(5-9-15)12-20-21-17(18(25-3)19(21)22)14-6-10-16(24-2)11-7-14/h4-12,17-18H,1-3H3/b20-12-/t17-,18-/m0/s1
InChIKeyKCLYEYMTAFRQRH-AJOUPAOOSA-N
MW340.38 g/mol
LogP2.64
Rot. Bonds6

About (3S,4S)-3-methoxy-4-(4-methoxyphenyl)-1-[(Z)-(4-methoxyphenyl)methylideneamino]azetidin-2-one

(3S,4S)-3-methoxy-4-(4-methoxyphenyl)-1-[(Z)-(4-methoxyphenyl)methylideneamino]azetidin-2-one (PubChem CID 10472413) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is (3S,4S)-3-methoxy-4-(4-methoxyphenyl)-1-[(Z)-(4-methoxyphenyl)methylideneamino]azetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-3-methoxy-4-(4-methoxyphenyl)-1-[(Z)-(4-methoxyphenyl)methylideneamino]azetidin-2-one
PubChem CID10472413
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name(3S,4S)-3-methoxy-4-(4-methoxyphenyl)-1-[(Z)-(4-methoxyphenyl)methylideneamino]azetidin-2-one
SMILESCOc1ccc(/C=N\N2C(=O)[C@@H](OC)[C@@H]2c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H20N2O4/c1-23-15-8-4-13(5-9-15)12-20-21-17(18(25-3)19(21)22)14-6-10-16(24-2)11-7-14/h4-12,17-18H,1-3H3/b20-12-/t17-,18-/m0/s1
InChIKeyKCLYEYMTAFRQRH-AJOUPAOOSA-N
XLogP2.64
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3S)-2-(4-methoxyphenyl)-1-[(Z)-(4-methoxyphenyl)methylideneamino]-4-oxoazetidin-3-yl] acetate
CID 10339013
(2R)-2-(4-methoxyphenyl)-3-[(Z)-(4-methoxyphenyl)methylideneamino]-2H-1,3-benzoxazin-4-one
CID 7574533
(3S,4R)-3-methoxy-1-(4-methoxyphenyl)-4-(4-methylphenyl)azetidin-2-one
CID 102052302
(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
(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
(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
(1R,2S,6S,7S,8S,10S)-4-[(Z)-(4-methoxyphenyl)methylideneamino]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 98360589
1-(4-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 759377
5-(4-methoxyphenyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
CID 42995825
(4R,5R)-1,3,4,5-tetrakis(4-methoxyphenyl)imidazolidin-2-one
CID 11124062
(3R,4S)-3-methoxy-4-[(2S,3R)-3-methoxy-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl]-1-(4-methoxyphenyl)azetidin-2-one
CID 102496056

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-methoxy-4-(4-methoxyphenyl)-1-[(Z)-(4-methoxyphenyl)methylideneamino]azetidin-2-one?
The IUPAC name of (3S,4S)-3-methoxy-4-(4-methoxyphenyl)-1-[(Z)-(4-methoxyphenyl)methylideneamino]azetidin-2-one (CID 10472413) is (3S,4S)-3-methoxy-4-(4-methoxyphenyl)-1-[(Z)-(4-methoxyphenyl)methylideneamino]azetidin-2-one.
What is the SMILES notation for (3S,4S)-3-methoxy-4-(4-methoxyphenyl)-1-[(Z)-(4-methoxyphenyl)methylideneamino]azetidin-2-one?
The canonical SMILES for (3S,4S)-3-methoxy-4-(4-methoxyphenyl)-1-[(Z)-(4-methoxyphenyl)methylideneamino]azetidin-2-one is COc1ccc(/C=N\N2C(=O)[C@@H](OC)[C@@H]2c2ccc(OC)cc2)cc1.
What is the InChIKey of (3S,4S)-3-methoxy-4-(4-methoxyphenyl)-1-[(Z)-(4-methoxyphenyl)methylideneamino]azetidin-2-one?
The InChIKey is KCLYEYMTAFRQRH-AJOUPAOOSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-23-15-8-4-13(5-9-15)12-20-21-17(18(25-3)19(21)22)14-6-10-16(24-2)11-7-14/h4-12,17-18H,1-3H3/b20-12-/t17-,18-/m0/s1.
What are the key properties of (3S,4S)-3-methoxy-4-(4-methoxyphenyl)-1-[(Z)-(4-methoxyphenyl)methylideneamino]azetidin-2-one?
(3S,4S)-3-methoxy-4-(4-methoxyphenyl)-1-[(Z)-(4-methoxyphenyl)methylideneamino]azetidin-2-one has a molecular weight of 340.38 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-methoxy-4-(4-methoxyphenyl)-1-[(Z)-(4-methoxyphenyl)methylideneamino]azetidin-2-one is sourced from PubChem (CID 10472413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).