N,N,3-trimethyl-2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]pentanamide

C31H33N3O2 — CID 3988320

About N,N,3-trimethyl-2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]pentanamide

N,N,3-trimethyl-2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]pentanamide (PubChem CID 3988320) has the molecular formula C31H33N3O2 and a molecular weight of 479.62 g/mol. Its IUPAC name is N,N,3-trimethyl-2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]pentanamide.

Molecular Properties

• Compound Name: N,N,3-trimethyl-2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]pentanamide
• PubChem CID: 3988320
• Molecular Formula: C31H33N3O2
• Molecular Weight: 479.62 g/mol
• Exact Mass: 479.26
• IUPAC Name: N,N,3-trimethyl-2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]pentanamide
• SMILES: CCC(C)C(C(=O)N(C)C)N1C(=O)c2ccccc2C1c1c(-c2ccccc2)n(C)c2ccccc12
• InChI: InChI=1S/C31H33N3O2/c1-6-20(2)27(31(36)32(3)4)34-29(22-16-10-11-17-23(22)30(34)35)26-24-18-12-13-19-25(24)33(5)28(26)21-14-8-7-9-15-21/h7-20,27,29H,6H2,1-5H3
• InChIKey: VQYMGVNZCIDWNJ-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 45.55 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.62
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethyl-2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]pentanamide?

The IUPAC name of N,N,3-trimethyl-2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]pentanamide (CID 3988320) is N,N,3-trimethyl-2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]pentanamide.

What is the SMILES notation for N,N,3-trimethyl-2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]pentanamide?

The canonical SMILES for N,N,3-trimethyl-2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]pentanamide is CCC(C)C(C(=O)N(C)C)N1C(=O)c2ccccc2C1c1c(-c2ccccc2)n(C)c2ccccc12.

What is the InChIKey of N,N,3-trimethyl-2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]pentanamide?

The InChIKey is VQYMGVNZCIDWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N3O2/c1-6-20(2)27(31(36)32(3)4)34-29(22-16-10-11-17-23(22)30(34)35)26-24-18-12-13-19-25(24)33(5)28(26)21-14-8-7-9-15-21/h7-20,27,29H,6H2,1-5H3.

What are the key properties of N,N,3-trimethyl-2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]pentanamide?

N,N,3-trimethyl-2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]pentanamide has a molecular weight of 479.62 g/mol, XLogP of 5.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N,N,3-trimethyl-2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]pentanamide is sourced from PubChem (CID 3988320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).