7-(1,3-dioxoisoindol-2-yl)-N-(3-ethyl-1-phenylindol-2-yl)heptanamide

C31H31N3O3 — CID 3071689

IUPAC7-(1,3-dioxoisoindol-2-yl)-N-(3-ethyl-1-phenylindol-2-yl)heptanamide
SMILESCCc1c(NC(=O)CCCCCCN2C(=O)c3ccccc3C2=O)n(-c2ccccc2)c2ccccc12
InChIInChI=1S/C31H31N3O3/c1-2-23-24-16-11-12-19-27(24)34(22-14-6-5-7-15-22)29(23)32-28(35)20-8-3-4-13-21-33-30(36)25-17-9-10-18-26(25)31(33)37/h5-7,9-12,14-19H,2-4,8,13,20-21H2,1H3,(H,32,35)
InChIKeyKIXWYPDWUYQMEY-UHFFFAOYSA-N
MW493.61 g/mol
LogP6.38
Rot. Bonds10

About 7-(1,3-dioxoisoindol-2-yl)-N-(3-ethyl-1-phenylindol-2-yl)heptanamide

7-(1,3-dioxoisoindol-2-yl)-N-(3-ethyl-1-phenylindol-2-yl)heptanamide (PubChem CID 3071689) has the molecular formula C31H31N3O3 and a molecular weight of 493.61 g/mol. Its IUPAC name is 7-(1,3-dioxoisoindol-2-yl)-N-(3-ethyl-1-phenylindol-2-yl)heptanamide.

Molecular Properties

Compound Name7-(1,3-dioxoisoindol-2-yl)-N-(3-ethyl-1-phenylindol-2-yl)heptanamide
PubChem CID3071689
Molecular FormulaC31H31N3O3
Molecular Weight493.61 g/mol
Exact Mass493.24
IUPAC Name7-(1,3-dioxoisoindol-2-yl)-N-(3-ethyl-1-phenylindol-2-yl)heptanamide
SMILESCCc1c(NC(=O)CCCCCCN2C(=O)c3ccccc3C2=O)n(-c2ccccc2)c2ccccc12
InChIInChI=1S/C31H31N3O3/c1-2-23-24-16-11-12-19-27(24)34(22-14-6-5-7-15-22)29(23)32-28(35)20-8-3-4-13-21-33-30(36)25-17-9-10-18-26(25)31(33)37/h5-7,9-12,14-19H,2-4,8,13,20-21H2,1H3,(H,32,35)
InChIKeyKIXWYPDWUYQMEY-UHFFFAOYSA-N
XLogP6.38
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.61
LogP ≤ 56.38
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'}

Analyze 7-(1,3-dioxoisoindol-2-yl)-N-(3-ethyl-1-phenylindol-2-yl)heptanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(1,3-dioxoisoindol-2-yl)-N-(3-ethyl-1-phenylindol-2-yl)heptanamide?
The IUPAC name of 7-(1,3-dioxoisoindol-2-yl)-N-(3-ethyl-1-phenylindol-2-yl)heptanamide (CID 3071689) is 7-(1,3-dioxoisoindol-2-yl)-N-(3-ethyl-1-phenylindol-2-yl)heptanamide.
What is the SMILES notation for 7-(1,3-dioxoisoindol-2-yl)-N-(3-ethyl-1-phenylindol-2-yl)heptanamide?
The canonical SMILES for 7-(1,3-dioxoisoindol-2-yl)-N-(3-ethyl-1-phenylindol-2-yl)heptanamide is CCc1c(NC(=O)CCCCCCN2C(=O)c3ccccc3C2=O)n(-c2ccccc2)c2ccccc12.
What is the InChIKey of 7-(1,3-dioxoisoindol-2-yl)-N-(3-ethyl-1-phenylindol-2-yl)heptanamide?
The InChIKey is KIXWYPDWUYQMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N3O3/c1-2-23-24-16-11-12-19-27(24)34(22-14-6-5-7-15-22)29(23)32-28(35)20-8-3-4-13-21-33-30(36)25-17-9-10-18-26(25)31(33)37/h5-7,9-12,14-19H,2-4,8,13,20-21H2,1H3,(H,32,35).
What are the key properties of 7-(1,3-dioxoisoindol-2-yl)-N-(3-ethyl-1-phenylindol-2-yl)heptanamide?
7-(1,3-dioxoisoindol-2-yl)-N-(3-ethyl-1-phenylindol-2-yl)heptanamide has a molecular weight of 493.61 g/mol, XLogP of 6.38, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,3-dioxoisoindol-2-yl)-N-(3-ethyl-1-phenylindol-2-yl)heptanamide is sourced from PubChem (CID 3071689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).