(4R)-1-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-phenylazetidin-2-one

C17H16N2O3 — CID 136887294

IUPAC(4R)-1-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-phenylazetidin-2-one
SMILESCOc1cc(/C=N\N2C(=O)C[C@@H]2c2ccccc2)ccc1O
InChIInChI=1S/C17H16N2O3/c1-22-16-9-12(7-8-15(16)20)11-18-19-14(10-17(19)21)13-5-3-2-4-6-13/h2-9,11,14,20H,10H2,1H3/b18-11-/t14-/m1/s1
InChIKeySSXDWAXLTUNHNP-JVVDOCDTSA-N
MW296.33 g/mol
LogP2.71
Rot. Bonds4

About (4R)-1-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-phenylazetidin-2-one

(4R)-1-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-phenylazetidin-2-one (PubChem CID 136887294) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is (4R)-1-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-phenylazetidin-2-one.

Molecular Properties

Compound Name(4R)-1-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-phenylazetidin-2-one
PubChem CID136887294
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name(4R)-1-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-phenylazetidin-2-one
SMILESCOc1cc(/C=N\N2C(=O)C[C@@H]2c2ccccc2)ccc1O
InChIInChI=1S/C17H16N2O3/c1-22-16-9-12(7-8-15(16)20)11-18-19-14(10-17(19)21)13-5-3-2-4-6-13/h2-9,11,14,20H,10H2,1H3/b18-11-/t14-/m1/s1
InChIKeySSXDWAXLTUNHNP-JVVDOCDTSA-N
XLogP2.71
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(4R)-1-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-4-phenylazetidin-2-one
CID 136800382
(4R)-1-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-phenylazetidin-2-one
CID 94841881
4-[(E)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]iminomethyl]-2-methoxyphenol
CID 135692372
(5R)-5-ethyl-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione
CID 135800290
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 135472421
1-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-4,6-dimethylpyridin-2-one
CID 909670
3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
CID 135770164
3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinazolin-4-one
CID 137283573
5-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 135749561
N-[2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]benzamide
CID 3365484
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2,2-diphenylacetamide
CID 135679569
3-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-phenylimino-1,3-thiazolidin-4-one
CID 17118331

Frequently Asked Questions

What is the IUPAC name of (4R)-1-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-phenylazetidin-2-one?
The IUPAC name of (4R)-1-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-phenylazetidin-2-one (CID 136887294) is (4R)-1-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-phenylazetidin-2-one.
What is the SMILES notation for (4R)-1-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-phenylazetidin-2-one?
The canonical SMILES for (4R)-1-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-phenylazetidin-2-one is COc1cc(/C=N\N2C(=O)C[C@@H]2c2ccccc2)ccc1O.
What is the InChIKey of (4R)-1-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-phenylazetidin-2-one?
The InChIKey is SSXDWAXLTUNHNP-JVVDOCDTSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-22-16-9-12(7-8-15(16)20)11-18-19-14(10-17(19)21)13-5-3-2-4-6-13/h2-9,11,14,20H,10H2,1H3/b18-11-/t14-/m1/s1.
What are the key properties of (4R)-1-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-phenylazetidin-2-one?
(4R)-1-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-phenylazetidin-2-one has a molecular weight of 296.33 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-phenylazetidin-2-one is sourced from PubChem (CID 136887294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).