6-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-1-phenylindol-2-yl)hexanamide

C29H27N3O3 — CID 3071683

IUPAC6-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-1-phenylindol-2-yl)hexanamide
SMILESCc1c(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)n(-c2ccccc2)c2ccccc12
InChIInChI=1S/C29H27N3O3/c1-20-22-14-9-10-17-25(22)32(21-12-4-2-5-13-21)27(20)30-26(33)18-6-3-11-19-31-28(34)23-15-7-8-16-24(23)29(31)35/h2,4-5,7-10,12-17H,3,6,11,18-19H2,1H3,(H,30,33)
InChIKeyTVHRLJLPYAJKPK-UHFFFAOYSA-N
MW465.55 g/mol
LogP5.73
Rot. Bonds8

About 6-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-1-phenylindol-2-yl)hexanamide

6-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-1-phenylindol-2-yl)hexanamide (PubChem CID 3071683) has the molecular formula C29H27N3O3 and a molecular weight of 465.55 g/mol. Its IUPAC name is 6-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-1-phenylindol-2-yl)hexanamide.

Molecular Properties

Compound Name6-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-1-phenylindol-2-yl)hexanamide
PubChem CID3071683
Molecular FormulaC29H27N3O3
Molecular Weight465.55 g/mol
Exact Mass465.21
IUPAC Name6-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-1-phenylindol-2-yl)hexanamide
SMILESCc1c(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)n(-c2ccccc2)c2ccccc12
InChIInChI=1S/C29H27N3O3/c1-20-22-14-9-10-17-25(22)32(21-12-4-2-5-13-21)27(20)30-26(33)18-6-3-11-19-31-28(34)23-15-7-8-16-24(23)29(31)35/h2,4-5,7-10,12-17H,3,6,11,18-19H2,1H3,(H,30,33)
InChIKeyTVHRLJLPYAJKPK-UHFFFAOYSA-N
XLogP5.73
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.55
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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2-{4-[2-methyl-4-(quinolin-2-yl)piperazin-1-yl]butyl}-2,3-dihydro-1H-isoindole-1,3-dione
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CID 24746625
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CID 24746626
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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-1-phenylindol-2-yl)hexanamide?
The IUPAC name of 6-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-1-phenylindol-2-yl)hexanamide (CID 3071683) is 6-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-1-phenylindol-2-yl)hexanamide.
What is the SMILES notation for 6-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-1-phenylindol-2-yl)hexanamide?
The canonical SMILES for 6-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-1-phenylindol-2-yl)hexanamide is Cc1c(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)n(-c2ccccc2)c2ccccc12.
What is the InChIKey of 6-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-1-phenylindol-2-yl)hexanamide?
The InChIKey is TVHRLJLPYAJKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O3/c1-20-22-14-9-10-17-25(22)32(21-12-4-2-5-13-21)27(20)30-26(33)18-6-3-11-19-31-28(34)23-15-7-8-16-24(23)29(31)35/h2,4-5,7-10,12-17H,3,6,11,18-19H2,1H3,(H,30,33).
What are the key properties of 6-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-1-phenylindol-2-yl)hexanamide?
6-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-1-phenylindol-2-yl)hexanamide has a molecular weight of 465.55 g/mol, XLogP of 5.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-1-phenylindol-2-yl)hexanamide is sourced from PubChem (CID 3071683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).