About N-cyclohexyl-4-(9H-fluoren-1-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide
N-cyclohexyl-4-(9H-fluoren-1-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 4195736) has the molecular formula C34H37NO4
and a molecular weight of 523.67 g/mol. Its IUPAC name is N-cyclohexyl-4-(9H-fluoren-1-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide.
Molecular Properties
| Compound Name | N-cyclohexyl-4-(9H-fluoren-1-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide |
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| PubChem CID | 4195736 |
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| Molecular Formula | C34H37NO4 |
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| Molecular Weight | 523.67 g/mol |
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| Exact Mass | 523.27 |
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| IUPAC Name | N-cyclohexyl-4-(9H-fluoren-1-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide |
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| SMILES | CN(C(=O)C1=CC(c2cccc3c2Cc2ccccc2-3)CC(OCc2ccc(CO)cc2)O1)C1CCCCC1 |
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| InChI | InChI=1S/C34H37NO4/c1-35(27-9-3-2-4-10-27)34(37)32-19-26(20-33(39-32)38-22-24-16-14-23(21-36)15-17-24)29-12-7-13-30-28-11-6-5-8-25(28)18-31(29)30/h5-8,11-17,19,26-27,33,36H,2-4,9-10,18,20-22H2,1H3 |
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| InChIKey | RKAGSKJVSDMJAN-UHFFFAOYSA-N |
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| XLogP | 6.47 |
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| TPSA | 59.00 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 39 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 523.67 |
| LogP ≤ 5 | 6.47 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of N-cyclohexyl-4-(9H-fluoren-1-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of N-cyclohexyl-4-(9H-fluoren-1-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide (CID 4195736) is N-cyclohexyl-4-(9H-fluoren-1-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(9H-fluoren-1-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(9H-fluoren-1-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide is CN(C(=O)C1=CC(c2cccc3c2Cc2ccccc2-3)CC(OCc2ccc(CO)cc2)O1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-(9H-fluoren-1-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is RKAGSKJVSDMJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37NO4/c1-35(27-9-3-2-4-10-27)34(37)32-19-26(20-33(39-32)38-22-24-16-14-23(21-36)15-17-24)29-12-7-13-30-28-11-6-5-8-25(28)18-31(29)30/h5-8,11-17,19,26-27,33,36H,2-4,9-10,18,20-22H2,1H3.
What are the key properties of N-cyclohexyl-4-(9H-fluoren-1-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide?
N-cyclohexyl-4-(9H-fluoren-1-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 523.67 g/mol, XLogP of 6.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(9H-fluoren-1-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 4195736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).