About [2-amino-5-methoxy-4-tri(propan-2-yl)silyloxyphenyl]-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]methanone
[2-amino-5-methoxy-4-tri(propan-2-yl)silyloxyphenyl]-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]methanone (PubChem CID 171782432) has the molecular formula C29H53NO4Si2
and a molecular weight of 535.92 g/mol. Its IUPAC name is [2-amino-5-methoxy-4-tri(propan-2-yl)silyloxyphenyl]-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]methanone.
Molecular Properties
| Compound Name | [2-amino-5-methoxy-4-tri(propan-2-yl)silyloxyphenyl]-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]methanone |
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| PubChem CID | 171782432 |
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| Molecular Formula | C29H53NO4Si2 |
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| Molecular Weight | 535.92 g/mol |
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| Exact Mass | 535.35 |
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| IUPAC Name | [2-amino-5-methoxy-4-tri(propan-2-yl)silyloxyphenyl]-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]methanone |
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| SMILES | COc1cc(C(=O)C2CCC[C@H]2CO[Si](C)(C)C(C)(C)C)c(N)cc1O[Si](C(C)C)(C(C)C)C(C)C |
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| InChI | InChI=1S/C29H53NO4Si2/c1-19(2)36(20(3)4,21(5)6)34-27-17-25(30)24(16-26(27)32-10)28(31)23-15-13-14-22(23)18-33-35(11,12)29(7,8)9/h16-17,19-23H,13-15,18,30H2,1-12H3/t22-,23?/m0/s1 |
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| InChIKey | NLZUWUYNGAFOSD-NQCNTLBGSA-N |
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| XLogP | 8.45 |
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| TPSA | 70.78 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 11 |
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| Heavy Atoms | 36 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 535.92 |
| LogP ≤ 5 | 8.45 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [2-amino-5-methoxy-4-tri(propan-2-yl)silyloxyphenyl]-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]methanone?
The IUPAC name of [2-amino-5-methoxy-4-tri(propan-2-yl)silyloxyphenyl]-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]methanone (CID 171782432) is [2-amino-5-methoxy-4-tri(propan-2-yl)silyloxyphenyl]-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]methanone.
What is the SMILES notation for [2-amino-5-methoxy-4-tri(propan-2-yl)silyloxyphenyl]-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]methanone?
The canonical SMILES for [2-amino-5-methoxy-4-tri(propan-2-yl)silyloxyphenyl]-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]methanone is COc1cc(C(=O)C2CCC[C@H]2CO[Si](C)(C)C(C)(C)C)c(N)cc1O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [2-amino-5-methoxy-4-tri(propan-2-yl)silyloxyphenyl]-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]methanone?
The InChIKey is NLZUWUYNGAFOSD-NQCNTLBGSA-N. The full InChI is InChI=1S/C29H53NO4Si2/c1-19(2)36(20(3)4,21(5)6)34-27-17-25(30)24(16-26(27)32-10)28(31)23-15-13-14-22(23)18-33-35(11,12)29(7,8)9/h16-17,19-23H,13-15,18,30H2,1-12H3/t22-,23?/m0/s1.
What are the key properties of [2-amino-5-methoxy-4-tri(propan-2-yl)silyloxyphenyl]-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]methanone?
[2-amino-5-methoxy-4-tri(propan-2-yl)silyloxyphenyl]-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]methanone has a molecular weight of 535.92 g/mol, XLogP of 8.45, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-5-methoxy-4-tri(propan-2-yl)silyloxyphenyl]-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]methanone is sourced from PubChem (CID 171782432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).