4-(4-methoxy-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)azetidin-2-one;3-methoxypyrrolidine-2,5-dione

C34H32N2O6 — CID 143651905

IUPAC4-(4-methoxy-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)azetidin-2-one;3-methoxypyrrolidine-2,5-dione
SMILESCOC1CC(=O)NC1=O.COc1ccc(C2CC(=O)N2c2ccc(-c3ccccc3)cc2)c(OCc2ccccc2)c1
InChIInChI=1S/C29H25NO3.C5H7NO3/c1-32-25-16-17-26(28(18-25)33-20-21-8-4-2-5-9-21)27-19-29(31)30(27)24-14-12-23(13-15-24)22-10-6-3-7-11-22;1-9-3-2-4(7)6-5(3)8/h2-18,27H,19-20H2,1H3;3H,2H2,1H3,(H,6,7,8)
InChIKeyOIKMTIZVCLIHNC-UHFFFAOYSA-N
MW564.64 g/mol
LogP5.47
Rot. Bonds8

About 4-(4-methoxy-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)azetidin-2-one;3-methoxypyrrolidine-2,5-dione

4-(4-methoxy-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)azetidin-2-one;3-methoxypyrrolidine-2,5-dione (PubChem CID 143651905) has the molecular formula C34H32N2O6 and a molecular weight of 564.64 g/mol. Its IUPAC name is 4-(4-methoxy-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)azetidin-2-one;3-methoxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name4-(4-methoxy-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)azetidin-2-one;3-methoxypyrrolidine-2,5-dione
PubChem CID143651905
Molecular FormulaC34H32N2O6
Molecular Weight564.64 g/mol
Exact Mass564.23
IUPAC Name4-(4-methoxy-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)azetidin-2-one;3-methoxypyrrolidine-2,5-dione
SMILESCOC1CC(=O)NC1=O.COc1ccc(C2CC(=O)N2c2ccc(-c3ccccc3)cc2)c(OCc2ccccc2)c1
InChIInChI=1S/C29H25NO3.C5H7NO3/c1-32-25-16-17-26(28(18-25)33-20-21-8-4-2-5-9-21)27-19-29(31)30(27)24-14-12-23(13-15-24)22-10-6-3-7-11-22;1-9-3-2-4(7)6-5(3)8/h2-18,27H,19-20H2,1H3;3H,2H2,1H3,(H,6,7,8)
InChIKeyOIKMTIZVCLIHNC-UHFFFAOYSA-N
XLogP5.47
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.64
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(4-bromo-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)azetidin-2-one;3-methoxypyrrolidine-2,5-dione
CID 143652087
ethane;4-(4-methoxy-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)-3-sulfanylazetidin-2-one
CID 143652001
5-(4-bromo-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)pyrrolidin-2-one
CID 143651914
(4S)-1-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)azetidin-2-one
CID 10882566
ethane;1-(4-fluorophenyl)prop-2-yn-1-one;3-(4-methoxyphenyl)-4-(4-methoxy-2-phenylmethoxyphenyl)-1,3-oxazolidin-2-one
CID 143671652
(4S)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 10354907
(4R,5S)-4,5-bis(4-methoxy-2-phenylmethoxyphenyl)-1,3-oxazolidin-2-one
CID 139636777
(12S)-3-benzyl-12-(2,4-dimethoxyphenyl)-3,9-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-10-one
CID 125121958
(4S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,4-dimethoxyphenyl)azetidin-2-one
CID 56670202
(4R)-4-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135924831
(4S,5S)-4-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-5-(2-hydroxy-4-methoxyphenyl)-1-(4-phenylphenyl)pyrrolidin-2-one
CID 71103903
4-[4-methoxy-2-(3-phenylpropoxy)phenyl]pyrrolidin-2-one
CID 141070353

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)azetidin-2-one;3-methoxypyrrolidine-2,5-dione?
The IUPAC name of 4-(4-methoxy-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)azetidin-2-one;3-methoxypyrrolidine-2,5-dione (CID 143651905) is 4-(4-methoxy-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)azetidin-2-one;3-methoxypyrrolidine-2,5-dione.
What is the SMILES notation for 4-(4-methoxy-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)azetidin-2-one;3-methoxypyrrolidine-2,5-dione?
The canonical SMILES for 4-(4-methoxy-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)azetidin-2-one;3-methoxypyrrolidine-2,5-dione is COC1CC(=O)NC1=O.COc1ccc(C2CC(=O)N2c2ccc(-c3ccccc3)cc2)c(OCc2ccccc2)c1.
What is the InChIKey of 4-(4-methoxy-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)azetidin-2-one;3-methoxypyrrolidine-2,5-dione?
The InChIKey is OIKMTIZVCLIHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25NO3.C5H7NO3/c1-32-25-16-17-26(28(18-25)33-20-21-8-4-2-5-9-21)27-19-29(31)30(27)24-14-12-23(13-15-24)22-10-6-3-7-11-22;1-9-3-2-4(7)6-5(3)8/h2-18,27H,19-20H2,1H3;3H,2H2,1H3,(H,6,7,8).
What are the key properties of 4-(4-methoxy-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)azetidin-2-one;3-methoxypyrrolidine-2,5-dione?
4-(4-methoxy-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)azetidin-2-one;3-methoxypyrrolidine-2,5-dione has a molecular weight of 564.64 g/mol, XLogP of 5.47, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)azetidin-2-one;3-methoxypyrrolidine-2,5-dione is sourced from PubChem (CID 143651905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).