About 3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)propanamide
3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)propanamide (PubChem CID 130201037) has the molecular formula C25H40N4O4
and a molecular weight of 460.62 g/mol. Its IUPAC name is 3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)propanamide.
Molecular Properties
| Compound Name | 3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)propanamide |
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| PubChem CID | 130201037 |
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| Molecular Formula | C25H40N4O4 |
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| Molecular Weight | 460.62 g/mol |
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| Exact Mass | 460.30 |
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| IUPAC Name | 3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)propanamide |
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| SMILES | COCCCN1C(=O)N(CCC(=O)NCCO)CC12CCC(c1ccccc1)(N(C)C)CC2 |
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| InChI | InChI=1S/C25H40N4O4/c1-27(2)25(21-8-5-4-6-9-21)13-11-24(12-14-25)20-28(17-10-22(31)26-15-18-30)23(32)29(24)16-7-19-33-3/h4-6,8-9,30H,7,10-20H2,1-3H3,(H,26,31) |
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| InChIKey | ZQXBRDROAFOOML-UHFFFAOYSA-N |
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| XLogP | 2.03 |
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| TPSA | 85.35 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 11 |
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| Heavy Atoms | 33 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 460.62 |
| LogP ≤ 5 | 2.03 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)propanamide?
The IUPAC name of 3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)propanamide (CID 130201037) is 3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for 3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for 3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)propanamide is COCCCN1C(=O)N(CCC(=O)NCCO)CC12CCC(c1ccccc1)(N(C)C)CC2.
What is the InChIKey of 3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)propanamide?
The InChIKey is ZQXBRDROAFOOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N4O4/c1-27(2)25(21-8-5-4-6-9-21)13-11-24(12-14-25)20-28(17-10-22(31)26-15-18-30)23(32)29(24)16-7-19-33-3/h4-6,8-9,30H,7,10-20H2,1-3H3,(H,26,31).
What are the key properties of 3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)propanamide?
3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)propanamide has a molecular weight of 460.62 g/mol, XLogP of 2.03, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 130201037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).