1-[8-(2,3-dioxoindol-1-yl)octyl]indole-2,3-dione

C24H24N2O4 — CID 138857677

IUPAC1-[8-(2,3-dioxoindol-1-yl)octyl]indole-2,3-dione
SMILESO=C1C(=O)N(CCCCCCCCN2C(=O)C(=O)c3ccccc32)c2ccccc21
InChIInChI=1S/C24H24N2O4/c27-21-17-11-5-7-13-19(17)25(23(21)29)15-9-3-1-2-4-10-16-26-20-14-8-6-12-18(20)22(28)24(26)30/h5-8,11-14H,1-4,9-10,15-16H2
InChIKeyXAMVOBRYUJCXJP-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.79
Rot. Bonds9

About 1-[8-(2,3-dioxoindol-1-yl)octyl]indole-2,3-dione

1-[8-(2,3-dioxoindol-1-yl)octyl]indole-2,3-dione (PubChem CID 138857677) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is 1-[8-(2,3-dioxoindol-1-yl)octyl]indole-2,3-dione.

Molecular Properties

Compound Name1-[8-(2,3-dioxoindol-1-yl)octyl]indole-2,3-dione
PubChem CID138857677
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name1-[8-(2,3-dioxoindol-1-yl)octyl]indole-2,3-dione
SMILESO=C1C(=O)N(CCCCCCCCN2C(=O)C(=O)c3ccccc32)c2ccccc21
InChIInChI=1S/C24H24N2O4/c27-21-17-11-5-7-13-19(17)25(23(21)29)15-9-3-1-2-4-10-16-26-20-14-8-6-12-18(20)22(28)24(26)30/h5-8,11-14H,1-4,9-10,15-16H2
InChIKeyXAMVOBRYUJCXJP-UHFFFAOYSA-N
XLogP3.79
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[8-(2,3-dioxoindol-1-yl)octyl]indole-2,3-dione?
The IUPAC name of 1-[8-(2,3-dioxoindol-1-yl)octyl]indole-2,3-dione (CID 138857677) is 1-[8-(2,3-dioxoindol-1-yl)octyl]indole-2,3-dione.
What is the SMILES notation for 1-[8-(2,3-dioxoindol-1-yl)octyl]indole-2,3-dione?
The canonical SMILES for 1-[8-(2,3-dioxoindol-1-yl)octyl]indole-2,3-dione is O=C1C(=O)N(CCCCCCCCN2C(=O)C(=O)c3ccccc32)c2ccccc21.
What is the InChIKey of 1-[8-(2,3-dioxoindol-1-yl)octyl]indole-2,3-dione?
The InChIKey is XAMVOBRYUJCXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c27-21-17-11-5-7-13-19(17)25(23(21)29)15-9-3-1-2-4-10-16-26-20-14-8-6-12-18(20)22(28)24(26)30/h5-8,11-14H,1-4,9-10,15-16H2.
What are the key properties of 1-[8-(2,3-dioxoindol-1-yl)octyl]indole-2,3-dione?
1-[8-(2,3-dioxoindol-1-yl)octyl]indole-2,3-dione has a molecular weight of 404.47 g/mol, XLogP of 3.79, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(2,3-dioxoindol-1-yl)octyl]indole-2,3-dione is sourced from PubChem (CID 138857677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).