About (2R)-N-methoxy-N,2-dimethyl-6-[(5S)-3-methylidene-5-(3-trityloxypropyl)oxolan-2-yl]-4-oxohexanamide
(2R)-N-methoxy-N,2-dimethyl-6-[(5S)-3-methylidene-5-(3-trityloxypropyl)oxolan-2-yl]-4-oxohexanamide (PubChem CID 167099099) has the molecular formula C36H43NO5
and a molecular weight of 569.74 g/mol. Its IUPAC name is (2R)-N-methoxy-N,2-dimethyl-6-[(5S)-3-methylidene-5-(3-trityloxypropyl)oxolan-2-yl]-4-oxohexanamide.
Molecular Properties
| Compound Name | (2R)-N-methoxy-N,2-dimethyl-6-[(5S)-3-methylidene-5-(3-trityloxypropyl)oxolan-2-yl]-4-oxohexanamide |
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| PubChem CID | 167099099 |
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| Molecular Formula | C36H43NO5 |
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| Molecular Weight | 569.74 g/mol |
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| Exact Mass | 569.31 |
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| IUPAC Name | (2R)-N-methoxy-N,2-dimethyl-6-[(5S)-3-methylidene-5-(3-trityloxypropyl)oxolan-2-yl]-4-oxohexanamide |
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| SMILES | C=C1C[C@H](CCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)OC1CCC(=O)C[C@@H](C)C(=O)N(C)OC |
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| InChI | InChI=1S/C36H43NO5/c1-27-26-33(42-34(27)23-22-32(38)25-28(2)35(39)37(3)40-4)21-14-24-41-36(29-15-8-5-9-16-29,30-17-10-6-11-18-30)31-19-12-7-13-20-31/h5-13,15-20,28,33-34H,1,14,21-26H2,2-4H3/t28-,33+,34?/m1/s1 |
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| InChIKey | FQGGYLPIAXNHKU-AUNSLMQVSA-N |
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| XLogP | 6.88 |
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| TPSA | 65.07 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 15 |
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| Heavy Atoms | 42 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 569.74 |
| LogP ≤ 5 | 6.88 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (2R)-N-methoxy-N,2-dimethyl-6-[(5S)-3-methylidene-5-(3-trityloxypropyl)oxolan-2-yl]-4-oxohexanamide?
The IUPAC name of (2R)-N-methoxy-N,2-dimethyl-6-[(5S)-3-methylidene-5-(3-trityloxypropyl)oxolan-2-yl]-4-oxohexanamide (CID 167099099) is (2R)-N-methoxy-N,2-dimethyl-6-[(5S)-3-methylidene-5-(3-trityloxypropyl)oxolan-2-yl]-4-oxohexanamide.
What is the SMILES notation for (2R)-N-methoxy-N,2-dimethyl-6-[(5S)-3-methylidene-5-(3-trityloxypropyl)oxolan-2-yl]-4-oxohexanamide?
The canonical SMILES for (2R)-N-methoxy-N,2-dimethyl-6-[(5S)-3-methylidene-5-(3-trityloxypropyl)oxolan-2-yl]-4-oxohexanamide is C=C1C[C@H](CCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)OC1CCC(=O)C[C@@H](C)C(=O)N(C)OC.
What is the InChIKey of (2R)-N-methoxy-N,2-dimethyl-6-[(5S)-3-methylidene-5-(3-trityloxypropyl)oxolan-2-yl]-4-oxohexanamide?
The InChIKey is FQGGYLPIAXNHKU-AUNSLMQVSA-N. The full InChI is InChI=1S/C36H43NO5/c1-27-26-33(42-34(27)23-22-32(38)25-28(2)35(39)37(3)40-4)21-14-24-41-36(29-15-8-5-9-16-29,30-17-10-6-11-18-30)31-19-12-7-13-20-31/h5-13,15-20,28,33-34H,1,14,21-26H2,2-4H3/t28-,33+,34?/m1/s1.
What are the key properties of (2R)-N-methoxy-N,2-dimethyl-6-[(5S)-3-methylidene-5-(3-trityloxypropyl)oxolan-2-yl]-4-oxohexanamide?
(2R)-N-methoxy-N,2-dimethyl-6-[(5S)-3-methylidene-5-(3-trityloxypropyl)oxolan-2-yl]-4-oxohexanamide has a molecular weight of 569.74 g/mol, XLogP of 6.88, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methoxy-N,2-dimethyl-6-[(5S)-3-methylidene-5-(3-trityloxypropyl)oxolan-2-yl]-4-oxohexanamide is sourced from PubChem (CID 167099099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).