8-(dimethylamino)-1-[2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C30H43N3O4 — CID 130222199

About 8-(dimethylamino)-1-[2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

8-(dimethylamino)-1-[2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130222199) has the molecular formula C30H43N3O4 and a molecular weight of 509.69 g/mol. Its IUPAC name is 8-(dimethylamino)-1-[2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: 8-(dimethylamino)-1-[2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
• PubChem CID: 130222199
• Molecular Formula: C30H43N3O4
• Molecular Weight: 509.69 g/mol
• Exact Mass: 509.33
• IUPAC Name: 8-(dimethylamino)-1-[2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
• SMILES: COc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC(O)OC(C)(C)C)C2=O)cc1
• InChI: InChI=1S/C30H43N3O4/c1-28(2,3)37-26(34)21-33-27(35)32(20-23-12-14-25(36-6)15-13-23)22-29(33)16-18-30(19-17-29,31(4)5)24-10-8-7-9-11-24/h7-15,26,34H,16-22H2,1-6H3
• InChIKey: HVRLUKDVIGEPCH-UHFFFAOYSA-N
• XLogP: 4.84
• TPSA: 65.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.69
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-1-[2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?

The IUPAC name of 8-(dimethylamino)-1-[2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130222199) is 8-(dimethylamino)-1-[2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

What is the SMILES notation for 8-(dimethylamino)-1-[2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?

The canonical SMILES for 8-(dimethylamino)-1-[2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is COc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC(O)OC(C)(C)C)C2=O)cc1.

What is the InChIKey of 8-(dimethylamino)-1-[2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?

The InChIKey is HVRLUKDVIGEPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43N3O4/c1-28(2,3)37-26(34)21-33-27(35)32(20-23-12-14-25(36-6)15-13-23)22-29(33)16-18-30(19-17-29,31(4)5)24-10-8-7-9-11-24/h7-15,26,34H,16-22H2,1-6H3.

What are the key properties of 8-(dimethylamino)-1-[2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?

8-(dimethylamino)-1-[2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 509.69 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(dimethylamino)-1-[2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130222199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).