2-[(Z)-[2-(4-methoxyphenyl)-2-phenylcyclobutylidene]amino]isoindole-1,3-dione

C25H20N2O3 — CID 102146832

IUPAC2-[(Z)-[2-(4-methoxyphenyl)-2-phenylcyclobutylidene]amino]isoindole-1,3-dione
SMILESCOc1ccc(C2(c3ccccc3)CC/C2=N/N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C25H20N2O3/c1-30-19-13-11-18(12-14-19)25(17-7-3-2-4-8-17)16-15-22(25)26-27-23(28)20-9-5-6-10-21(20)24(27)29/h2-14H,15-16H2,1H3/b26-22-
InChIKeyQLBZXCFWFIAKHF-ROMGYVFFSA-N
MW396.45 g/mol
LogP4.43
Rot. Bonds4

About 2-[(Z)-[2-(4-methoxyphenyl)-2-phenylcyclobutylidene]amino]isoindole-1,3-dione

2-[(Z)-[2-(4-methoxyphenyl)-2-phenylcyclobutylidene]amino]isoindole-1,3-dione (PubChem CID 102146832) has the molecular formula C25H20N2O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is 2-[(Z)-[2-(4-methoxyphenyl)-2-phenylcyclobutylidene]amino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(Z)-[2-(4-methoxyphenyl)-2-phenylcyclobutylidene]amino]isoindole-1,3-dione
PubChem CID102146832
Molecular FormulaC25H20N2O3
Molecular Weight396.45 g/mol
Exact Mass396.15
IUPAC Name2-[(Z)-[2-(4-methoxyphenyl)-2-phenylcyclobutylidene]amino]isoindole-1,3-dione
SMILESCOc1ccc(C2(c3ccccc3)CC/C2=N/N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C25H20N2O3/c1-30-19-13-11-18(12-14-19)25(17-7-3-2-4-8-17)16-15-22(25)26-27-23(28)20-9-5-6-10-21(20)24(27)29/h2-14H,15-16H2,1H3/b26-22-
InChIKeyQLBZXCFWFIAKHF-ROMGYVFFSA-N
XLogP4.43
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-2-phenylindene-1,3-dione
CID 10664026
2-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8a-phenyl-7,8-dihydro-3H-isoquinoline-1,6-dione
CID 135194363
4-hydroxy-4-(4-methoxyphenyl)-2,3-dihydronaphthalen-1-one
CID 13408691
1-methoxy-4-(1,2,2-triphenylcyclopropyl)benzene
CID 12846254
(2S,3S)-1-(1,3-dioxoisoindol-2-yl)-3-(4-methoxyphenyl)-2-phenylaziridine-2-carbonitrile
CID 132563057
2-[(E)-(2,4-dimethoxyphenyl)methylideneamino]isoindole-1,3-dione
CID 6861399
2-[4-(4-methoxyphenyl)phenyl]isoindole-1,3-dione
CID 123891314
(3R)-3-(4-methoxyphenyl)-3-phenyl-2H-isoindol-1-one
CID 102494819
9,9-bis(4-methoxyphenyl)fluorene;ethane
CID 159536685
2,2-bis(4-methoxyphenyl)-1H-indol-3-one
CID 138738671
(2S)-2-(1,3-dioxoisoindol-2-yl)-2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 66624353
2-(4-methoxyphenyl)-2,4-dimethyl-1,3-dihydro-1,3,4-benzotriazepin-5-one
CID 10732770

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[2-(4-methoxyphenyl)-2-phenylcyclobutylidene]amino]isoindole-1,3-dione?
The IUPAC name of 2-[(Z)-[2-(4-methoxyphenyl)-2-phenylcyclobutylidene]amino]isoindole-1,3-dione (CID 102146832) is 2-[(Z)-[2-(4-methoxyphenyl)-2-phenylcyclobutylidene]amino]isoindole-1,3-dione.
What is the SMILES notation for 2-[(Z)-[2-(4-methoxyphenyl)-2-phenylcyclobutylidene]amino]isoindole-1,3-dione?
The canonical SMILES for 2-[(Z)-[2-(4-methoxyphenyl)-2-phenylcyclobutylidene]amino]isoindole-1,3-dione is COc1ccc(C2(c3ccccc3)CC/C2=N/N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-[(Z)-[2-(4-methoxyphenyl)-2-phenylcyclobutylidene]amino]isoindole-1,3-dione?
The InChIKey is QLBZXCFWFIAKHF-ROMGYVFFSA-N. The full InChI is InChI=1S/C25H20N2O3/c1-30-19-13-11-18(12-14-19)25(17-7-3-2-4-8-17)16-15-22(25)26-27-23(28)20-9-5-6-10-21(20)24(27)29/h2-14H,15-16H2,1H3/b26-22-.
What are the key properties of 2-[(Z)-[2-(4-methoxyphenyl)-2-phenylcyclobutylidene]amino]isoindole-1,3-dione?
2-[(Z)-[2-(4-methoxyphenyl)-2-phenylcyclobutylidene]amino]isoindole-1,3-dione has a molecular weight of 396.45 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[2-(4-methoxyphenyl)-2-phenylcyclobutylidene]amino]isoindole-1,3-dione is sourced from PubChem (CID 102146832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).