2-[[3,5-bis[(1,3-dioxoisoindol-2-yl)methyl]-4-methoxyphenyl]methyl]isoindole-1,3-dione

C34H23N3O7 — CID 4199335

IUPAC2-[[3,5-bis[(1,3-dioxoisoindol-2-yl)methyl]-4-methoxyphenyl]methyl]isoindole-1,3-dione
SMILESCOc1c(CN2C(=O)c3ccccc3C2=O)cc(CN2C(=O)c3ccccc3C2=O)cc1CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C34H23N3O7/c1-44-28-20(17-36-31(40)24-10-4-5-11-25(24)32(36)41)14-19(16-35-29(38)22-8-2-3-9-23(22)30(35)39)15-21(28)18-37-33(42)26-12-6-7-13-27(26)34(37)43/h2-15H,16-18H2,1H3
InChIKeyHZOMHKDWEIDQEO-UHFFFAOYSA-N
MW585.57 g/mol
LogP4.08
Rot. Bonds7

About 2-[[3,5-bis[(1,3-dioxoisoindol-2-yl)methyl]-4-methoxyphenyl]methyl]isoindole-1,3-dione

2-[[3,5-bis[(1,3-dioxoisoindol-2-yl)methyl]-4-methoxyphenyl]methyl]isoindole-1,3-dione (PubChem CID 4199335) has the molecular formula C34H23N3O7 and a molecular weight of 585.57 g/mol. Its IUPAC name is 2-[[3,5-bis[(1,3-dioxoisoindol-2-yl)methyl]-4-methoxyphenyl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[3,5-bis[(1,3-dioxoisoindol-2-yl)methyl]-4-methoxyphenyl]methyl]isoindole-1,3-dione
PubChem CID4199335
Molecular FormulaC34H23N3O7
Molecular Weight585.57 g/mol
Exact Mass585.15
IUPAC Name2-[[3,5-bis[(1,3-dioxoisoindol-2-yl)methyl]-4-methoxyphenyl]methyl]isoindole-1,3-dione
SMILESCOc1c(CN2C(=O)c3ccccc3C2=O)cc(CN2C(=O)c3ccccc3C2=O)cc1CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C34H23N3O7/c1-44-28-20(17-36-31(40)24-10-4-5-11-25(24)32(36)41)14-19(16-35-29(38)22-8-2-3-9-23(22)30(35)39)15-21(28)18-37-33(42)26-12-6-7-13-27(26)34(37)43/h2-15H,16-18H2,1H3
InChIKeyHZOMHKDWEIDQEO-UHFFFAOYSA-N
XLogP4.08
TPSA121.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.57
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-bis[(1,3-dioxoisoindol-2-yl)methyl]-4-methoxyphenyl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[3,5-bis[(1,3-dioxoisoindol-2-yl)methyl]-4-methoxyphenyl]methyl]isoindole-1,3-dione (CID 4199335) is 2-[[3,5-bis[(1,3-dioxoisoindol-2-yl)methyl]-4-methoxyphenyl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[3,5-bis[(1,3-dioxoisoindol-2-yl)methyl]-4-methoxyphenyl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[3,5-bis[(1,3-dioxoisoindol-2-yl)methyl]-4-methoxyphenyl]methyl]isoindole-1,3-dione is COc1c(CN2C(=O)c3ccccc3C2=O)cc(CN2C(=O)c3ccccc3C2=O)cc1CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[[3,5-bis[(1,3-dioxoisoindol-2-yl)methyl]-4-methoxyphenyl]methyl]isoindole-1,3-dione?
The InChIKey is HZOMHKDWEIDQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23N3O7/c1-44-28-20(17-36-31(40)24-10-4-5-11-25(24)32(36)41)14-19(16-35-29(38)22-8-2-3-9-23(22)30(35)39)15-21(28)18-37-33(42)26-12-6-7-13-27(26)34(37)43/h2-15H,16-18H2,1H3.
What are the key properties of 2-[[3,5-bis[(1,3-dioxoisoindol-2-yl)methyl]-4-methoxyphenyl]methyl]isoindole-1,3-dione?
2-[[3,5-bis[(1,3-dioxoisoindol-2-yl)methyl]-4-methoxyphenyl]methyl]isoindole-1,3-dione has a molecular weight of 585.57 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-bis[(1,3-dioxoisoindol-2-yl)methyl]-4-methoxyphenyl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 4199335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).