2-(1,3-dioxoisoindol-2-yl)-N-(1H-indol-5-yl)pentanediamide

C21H18N4O4 — CID 154862194

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(1H-indol-5-yl)pentanediamide
SMILESNC(=O)CCC(C(=O)Nc1ccc2[nH]ccc2c1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H18N4O4/c22-18(26)8-7-17(25-20(28)14-3-1-2-4-15(14)21(25)29)19(27)24-13-5-6-16-12(11-13)9-10-23-16/h1-6,9-11,17,23H,7-8H2,(H2,22,26)(H,24,27)
InChIKeyJJEQTOHBOZEYGA-UHFFFAOYSA-N
MW390.40 g/mol
LogP2.04
Rot. Bonds6

About 2-(1,3-dioxoisoindol-2-yl)-N-(1H-indol-5-yl)pentanediamide

2-(1,3-dioxoisoindol-2-yl)-N-(1H-indol-5-yl)pentanediamide (PubChem CID 154862194) has the molecular formula C21H18N4O4 and a molecular weight of 390.40 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(1H-indol-5-yl)pentanediamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(1H-indol-5-yl)pentanediamide
PubChem CID154862194
Molecular FormulaC21H18N4O4
Molecular Weight390.40 g/mol
Exact Mass390.13
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(1H-indol-5-yl)pentanediamide
SMILESNC(=O)CCC(C(=O)Nc1ccc2[nH]ccc2c1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H18N4O4/c22-18(26)8-7-17(25-20(28)14-3-1-2-4-15(14)21(25)29)19(27)24-13-5-6-16-12(11-13)9-10-23-16/h1-6,9-11,17,23H,7-8H2,(H2,22,26)(H,24,27)
InChIKeyJJEQTOHBOZEYGA-UHFFFAOYSA-N
XLogP2.04
TPSA125.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(1,3-dioxoisoindol-2-yl)-N-(1H-indol-5-yl)pentanediamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(1H-indol-5-yl)pentanediamide (CID 154862194) is 2-(1,3-dioxoisoindol-2-yl)-N-(1H-indol-5-yl)pentanediamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(1H-indol-5-yl)pentanediamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(1H-indol-5-yl)pentanediamide is NC(=O)CCC(C(=O)Nc1ccc2[nH]ccc2c1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(1H-indol-5-yl)pentanediamide?
The InChIKey is JJEQTOHBOZEYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4/c22-18(26)8-7-17(25-20(28)14-3-1-2-4-15(14)21(25)29)19(27)24-13-5-6-16-12(11-13)9-10-23-16/h1-6,9-11,17,23H,7-8H2,(H2,22,26)(H,24,27).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(1H-indol-5-yl)pentanediamide?
2-(1,3-dioxoisoindol-2-yl)-N-(1H-indol-5-yl)pentanediamide has a molecular weight of 390.40 g/mol, XLogP of 2.04, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(1H-indol-5-yl)pentanediamide is sourced from PubChem (CID 154862194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).