actinium;bis(3-hydroxy-4-phenyl-1-(1-phenylethyl)azetidin-2-one);methane;1-phenyl-N-(1-phenylethyl)methanimine

C52H61Ac2N3O4 — CID 159551817

IUPACactinium;bis(3-hydroxy-4-phenyl-1-(1-phenylethyl)azetidin-2-one);methane;1-phenyl-N-(1-phenylethyl)methanimine
SMILESC.C.C.CC(/N=C/c1ccccc1)c1ccccc1.CC(c1ccccc1)N1C(=O)C(O)C1c1ccccc1.CC(c1ccccc1)N1C(=O)C(O)C1c1ccccc1.[Ac].[Ac]
InChIInChI=1S/2C17H17NO2.C15H15N.3CH4.2Ac/c2*1-12(13-8-4-2-5-9-13)18-15(16(19)17(18)20)14-10-6-3-7-11-14;1-13(15-10-6-3-7-11-15)16-12-14-8-4-2-5-9-14;;;;;/h2*2-12,15-16,19H,1H3;2-13H,1H3;3*1H4;;/b;;16-12+;;;;;
InChIKeyYXHCOSKPJBBBGA-RJDKSWINSA-N
MW1246.08 g/mol
LogP11.16
Rot. Bonds9

About actinium;bis(3-hydroxy-4-phenyl-1-(1-phenylethyl)azetidin-2-one);methane;1-phenyl-N-(1-phenylethyl)methanimine

actinium;bis(3-hydroxy-4-phenyl-1-(1-phenylethyl)azetidin-2-one);methane;1-phenyl-N-(1-phenylethyl)methanimine (PubChem CID 159551817) has the molecular formula C52H61Ac2N3O4 and a molecular weight of 1246.08 g/mol. Its IUPAC name is actinium;bis(3-hydroxy-4-phenyl-1-(1-phenylethyl)azetidin-2-one);methane;1-phenyl-N-(1-phenylethyl)methanimine.

Molecular Properties

Compound Nameactinium;bis(3-hydroxy-4-phenyl-1-(1-phenylethyl)azetidin-2-one);methane;1-phenyl-N-(1-phenylethyl)methanimine
PubChem CID159551817
Molecular FormulaC52H61Ac2N3O4
Molecular Weight1246.08 g/mol
Exact Mass1245.52
IUPAC Nameactinium;bis(3-hydroxy-4-phenyl-1-(1-phenylethyl)azetidin-2-one);methane;1-phenyl-N-(1-phenylethyl)methanimine
SMILESC.C.C.CC(/N=C/c1ccccc1)c1ccccc1.CC(c1ccccc1)N1C(=O)C(O)C1c1ccccc1.CC(c1ccccc1)N1C(=O)C(O)C1c1ccccc1.[Ac].[Ac]
InChIInChI=1S/2C17H17NO2.C15H15N.3CH4.2Ac/c2*1-12(13-8-4-2-5-9-13)18-15(16(19)17(18)20)14-10-6-3-7-11-14;1-13(15-10-6-3-7-11-15)16-12-14-8-4-2-5-9-14;;;;;/h2*2-12,15-16,19H,1H3;2-13H,1H3;3*1H4;;/b;;16-12+;;;;;
InChIKeyYXHCOSKPJBBBGA-RJDKSWINSA-N
XLogP11.16
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001246.08
LogP ≤ 511.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(2S,3R)-3-hydroxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]benzonitrile
CID 54101496
[2-oxo-4-phenyl-1-(1-phenylethyl)azetidin-3-yl] acetate
CID 22901647
methyl 2-(3-hydroxy-2-oxo-4-phenylazetidin-1-yl)-2-phenylacetate
CID 20522495
[2-oxo-4-phenyl-1-[(1S)-1-phenylethyl]azetidin-3-yl] 2-methylpropanoate
CID 67705047
1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-[(1S)-1-phenylethyl]methanimine
CID 40877279
1-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine
CID 778491
N-(2-methyl-1-phenylpropyl)-1-phenylmethanimine
CID 12733574
[(2R,3R,4S)-3,4-dihydroxy-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]methyl acetate
CID 72713131
(4S)-1-[(1S)-1-phenylethyl]-4-[(E)-1-phenylprop-1-en-2-yl]azetidin-2-one
CID 14465638
CID 20652028
CID 20652028
3-hydroxy-1-[(1R)-1-phenylethyl]-4-propan-2-ylpyrrolidin-2-one
CID 58335409
[(3S)-2-(4-fluorophenyl)-4-oxo-1-(1-phenylethyl)azetidin-3-yl] acetate
CID 54404582

Frequently Asked Questions

What is the IUPAC name of actinium;bis(3-hydroxy-4-phenyl-1-(1-phenylethyl)azetidin-2-one);methane;1-phenyl-N-(1-phenylethyl)methanimine?
The IUPAC name of actinium;bis(3-hydroxy-4-phenyl-1-(1-phenylethyl)azetidin-2-one);methane;1-phenyl-N-(1-phenylethyl)methanimine (CID 159551817) is actinium;bis(3-hydroxy-4-phenyl-1-(1-phenylethyl)azetidin-2-one);methane;1-phenyl-N-(1-phenylethyl)methanimine.
What is the SMILES notation for actinium;bis(3-hydroxy-4-phenyl-1-(1-phenylethyl)azetidin-2-one);methane;1-phenyl-N-(1-phenylethyl)methanimine?
The canonical SMILES for actinium;bis(3-hydroxy-4-phenyl-1-(1-phenylethyl)azetidin-2-one);methane;1-phenyl-N-(1-phenylethyl)methanimine is C.C.C.CC(/N=C/c1ccccc1)c1ccccc1.CC(c1ccccc1)N1C(=O)C(O)C1c1ccccc1.CC(c1ccccc1)N1C(=O)C(O)C1c1ccccc1.[Ac].[Ac].
What is the InChIKey of actinium;bis(3-hydroxy-4-phenyl-1-(1-phenylethyl)azetidin-2-one);methane;1-phenyl-N-(1-phenylethyl)methanimine?
The InChIKey is YXHCOSKPJBBBGA-RJDKSWINSA-N. The full InChI is InChI=1S/2C17H17NO2.C15H15N.3CH4.2Ac/c2*1-12(13-8-4-2-5-9-13)18-15(16(19)17(18)20)14-10-6-3-7-11-14;1-13(15-10-6-3-7-11-15)16-12-14-8-4-2-5-9-14;;;;;/h2*2-12,15-16,19H,1H3;2-13H,1H3;3*1H4;;/b;;16-12+;;;;;.
What are the key properties of actinium;bis(3-hydroxy-4-phenyl-1-(1-phenylethyl)azetidin-2-one);methane;1-phenyl-N-(1-phenylethyl)methanimine?
actinium;bis(3-hydroxy-4-phenyl-1-(1-phenylethyl)azetidin-2-one);methane;1-phenyl-N-(1-phenylethyl)methanimine has a molecular weight of 1246.08 g/mol, XLogP of 11.16, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;bis(3-hydroxy-4-phenyl-1-(1-phenylethyl)azetidin-2-one);methane;1-phenyl-N-(1-phenylethyl)methanimine is sourced from PubChem (CID 159551817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).