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 |
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| PubChem CID | 142665218 |
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| Molecular Formula | C32H32N4O6 |
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| Molecular Weight | 568.63 g/mol |
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| Exact Mass | 568.23 |
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| 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 |
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| SMILES | COc1ccc(N2C(=O)c3cc(CN4C(=O)c5ccc(NC(=O)CN)cc5C4=O)ccc3C2C)cc1OC1CCCC1 |
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| 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) |
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| InChIKey | ARIQNIMOTXWFTF-UHFFFAOYSA-N |
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| XLogP | 4.43 |
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| TPSA | 131.27 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 42 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| 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'} |
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Analyze 2-amino-N-[2-[[2-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-3-oxo-1H-isoindol-5-yl]methyl]-1,3-dioxoisoindol-5-yl]acetamide with MolForge
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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).