8-(dimethylamino)-1-(5-methoxy-2-oxopentyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C30H41N3O4 — CID 159230550

About 8-(dimethylamino)-1-(5-methoxy-2-oxopentyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

8-(dimethylamino)-1-(5-methoxy-2-oxopentyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 159230550) has the molecular formula C30H41N3O4 and a molecular weight of 507.68 g/mol. Its IUPAC name is 8-(dimethylamino)-1-(5-methoxy-2-oxopentyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: 8-(dimethylamino)-1-(5-methoxy-2-oxopentyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
• PubChem CID: 159230550
• Molecular Formula: C30H41N3O4
• Molecular Weight: 507.68 g/mol
• Exact Mass: 507.31
• IUPAC Name: 8-(dimethylamino)-1-(5-methoxy-2-oxopentyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
• SMILES: COCCCC(=O)CN1C(=O)N(Cc2ccc(OC)cc2)CC12CCC(c1ccccc1)(N(C)C)CC2
• InChI: InChI=1S/C30H41N3O4/c1-31(2)30(25-9-6-5-7-10-25)18-16-29(17-19-30)23-32(21-24-12-14-27(37-4)15-13-24)28(35)33(29)22-26(34)11-8-20-36-3/h5-7,9-10,12-15H,8,11,16-23H2,1-4H3
• InChIKey: ZPBSGOLGMDCMDN-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 62.32 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.68
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-1-(5-methoxy-2-oxopentyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?

The IUPAC name of 8-(dimethylamino)-1-(5-methoxy-2-oxopentyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 159230550) is 8-(dimethylamino)-1-(5-methoxy-2-oxopentyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

What is the SMILES notation for 8-(dimethylamino)-1-(5-methoxy-2-oxopentyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?

The canonical SMILES for 8-(dimethylamino)-1-(5-methoxy-2-oxopentyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is COCCCC(=O)CN1C(=O)N(Cc2ccc(OC)cc2)CC12CCC(c1ccccc1)(N(C)C)CC2.

What is the InChIKey of 8-(dimethylamino)-1-(5-methoxy-2-oxopentyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?

The InChIKey is ZPBSGOLGMDCMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N3O4/c1-31(2)30(25-9-6-5-7-10-25)18-16-29(17-19-30)23-32(21-24-12-14-27(37-4)15-13-24)28(35)33(29)22-26(34)11-8-20-36-3/h5-7,9-10,12-15H,8,11,16-23H2,1-4H3.

What are the key properties of 8-(dimethylamino)-1-(5-methoxy-2-oxopentyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?

8-(dimethylamino)-1-(5-methoxy-2-oxopentyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 507.68 g/mol, XLogP of 4.70, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(dimethylamino)-1-(5-methoxy-2-oxopentyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 159230550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).