2-amino-N-[2-[[2-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-3-oxo-1H-isoindol-5-yl]methyl]-1,3-dioxoisoindol-5-yl]acetamide

C32H32N4O6 — CID 142665218

About 2-amino-N-[2-[[2-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-3-oxo-1H-isoindol-5-yl]methyl]-1,3-dioxoisoindol-5-yl]acetamide

2-amino-N-[2-[[2-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-3-oxo-1H-isoindol-5-yl]methyl]-1,3-dioxoisoindol-5-yl]acetamide (PubChem CID 142665218) has the molecular formula C32H32N4O6 and a molecular weight of 568.63 g/mol. Its IUPAC name is 2-amino-N-[2-[[2-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-3-oxo-1H-isoindol-5-yl]methyl]-1,3-dioxoisoindol-5-yl]acetamide.

Molecular Properties

• Compound Name: 2-amino-N-[2-[[2-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-3-oxo-1H-isoindol-5-yl]methyl]-1,3-dioxoisoindol-5-yl]acetamide
• PubChem CID: 142665218
• Molecular Formula: C32H32N4O6
• Molecular Weight: 568.63 g/mol
• Exact Mass: 568.23
• IUPAC Name: 2-amino-N-[2-[[2-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-3-oxo-1H-isoindol-5-yl]methyl]-1,3-dioxoisoindol-5-yl]acetamide
• SMILES: COc1ccc(N2C(=O)c3cc(CN4C(=O)c5ccc(NC(=O)CN)cc5C4=O)ccc3C2C)cc1OC1CCCC1
• InChI: InChI=1S/C32H32N4O6/c1-18-23-10-7-19(17-35-30(38)24-11-8-20(34-29(37)16-33)14-26(24)31(35)39)13-25(23)32(40)36(18)21-9-12-27(41-2)28(15-21)42-22-5-3-4-6-22/h7-15,18,22H,3-6,16-17,33H2,1-2H3,(H,34,37)
• InChIKey: ARIQNIMOTXWFTF-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 131.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	568.63
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[[2-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-3-oxo-1H-isoindol-5-yl]methyl]-1,3-dioxoisoindol-5-yl]acetamide?

The IUPAC name of 2-amino-N-[2-[[2-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-3-oxo-1H-isoindol-5-yl]methyl]-1,3-dioxoisoindol-5-yl]acetamide (CID 142665218) is 2-amino-N-[2-[[2-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-3-oxo-1H-isoindol-5-yl]methyl]-1,3-dioxoisoindol-5-yl]acetamide.

What is the SMILES notation for 2-amino-N-[2-[[2-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-3-oxo-1H-isoindol-5-yl]methyl]-1,3-dioxoisoindol-5-yl]acetamide?

The canonical SMILES for 2-amino-N-[2-[[2-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-3-oxo-1H-isoindol-5-yl]methyl]-1,3-dioxoisoindol-5-yl]acetamide is COc1ccc(N2C(=O)c3cc(CN4C(=O)c5ccc(NC(=O)CN)cc5C4=O)ccc3C2C)cc1OC1CCCC1.

What is the InChIKey of 2-amino-N-[2-[[2-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-3-oxo-1H-isoindol-5-yl]methyl]-1,3-dioxoisoindol-5-yl]acetamide?

The InChIKey is ARIQNIMOTXWFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N4O6/c1-18-23-10-7-19(17-35-30(38)24-11-8-20(34-29(37)16-33)14-26(24)31(35)39)13-25(23)32(40)36(18)21-9-12-27(41-2)28(15-21)42-22-5-3-4-6-22/h7-15,18,22H,3-6,16-17,33H2,1-2H3,(H,34,37).

What are the key properties of 2-amino-N-[2-[[2-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-3-oxo-1H-isoindol-5-yl]methyl]-1,3-dioxoisoindol-5-yl]acetamide?

2-amino-N-[2-[[2-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-3-oxo-1H-isoindol-5-yl]methyl]-1,3-dioxoisoindol-5-yl]acetamide has a molecular weight of 568.63 g/mol, XLogP of 4.43, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[2-[[2-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-3-oxo-1H-isoindol-5-yl]methyl]-1,3-dioxoisoindol-5-yl]acetamide is sourced from PubChem (CID 142665218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).