N-heptan-2-yl-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]propanamide

C32H35N3O2 — CID 3900384

About N-heptan-2-yl-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]propanamide

N-heptan-2-yl-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]propanamide (PubChem CID 3900384) has the molecular formula C32H35N3O2 and a molecular weight of 493.65 g/mol. Its IUPAC name is N-heptan-2-yl-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]propanamide.

Molecular Properties

• Compound Name: N-heptan-2-yl-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]propanamide
• PubChem CID: 3900384
• Molecular Formula: C32H35N3O2
• Molecular Weight: 493.65 g/mol
• Exact Mass: 493.27
• IUPAC Name: N-heptan-2-yl-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]propanamide
• SMILES: CCCCCC(C)NC(=O)C(C)N1C(=O)c2ccccc2C1c1c(-c2ccccc2)[nH]c2ccccc12
• InChI: InChI=1S/C32H35N3O2/c1-4-5-7-14-21(2)33-31(36)22(3)35-30(24-17-10-11-18-25(24)32(35)37)28-26-19-12-13-20-27(26)34-29(28)23-15-8-6-9-16-23/h6,8-13,15-22,30,34H,4-5,7,14H2,1-3H3,(H,33,36)
• InChIKey: NFMXFBZYSBFNJJ-UHFFFAOYSA-N
• XLogP: 6.85
• TPSA: 65.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.65
LogP ≤ 5	6.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]propanamide?

The IUPAC name of N-heptan-2-yl-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]propanamide (CID 3900384) is N-heptan-2-yl-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]propanamide.

What is the SMILES notation for N-heptan-2-yl-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]propanamide?

The canonical SMILES for N-heptan-2-yl-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]propanamide is CCCCCC(C)NC(=O)C(C)N1C(=O)c2ccccc2C1c1c(-c2ccccc2)[nH]c2ccccc12.

What is the InChIKey of N-heptan-2-yl-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]propanamide?

The InChIKey is NFMXFBZYSBFNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N3O2/c1-4-5-7-14-21(2)33-31(36)22(3)35-30(24-17-10-11-18-25(24)32(35)37)28-26-19-12-13-20-27(26)34-29(28)23-15-8-6-9-16-23/h6,8-13,15-22,30,34H,4-5,7,14H2,1-3H3,(H,33,36).

What are the key properties of N-heptan-2-yl-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]propanamide?

N-heptan-2-yl-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]propanamide has a molecular weight of 493.65 g/mol, XLogP of 6.85, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-heptan-2-yl-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]propanamide is sourced from PubChem (CID 3900384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).