2-(dimethylamino)-8-[(4-propan-2-yloxy-3-prop-2-enylphenyl)methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one

C22H32N4O2 — CID 131897028

About 2-(dimethylamino)-8-[(4-propan-2-yloxy-3-prop-2-enylphenyl)methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one

2-(dimethylamino)-8-[(4-propan-2-yloxy-3-prop-2-enylphenyl)methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 131897028) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is 2-(dimethylamino)-8-[(4-propan-2-yloxy-3-prop-2-enylphenyl)methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

• Compound Name: 2-(dimethylamino)-8-[(4-propan-2-yloxy-3-prop-2-enylphenyl)methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
• PubChem CID: 131897028
• Molecular Formula: C22H32N4O2
• Molecular Weight: 384.52 g/mol
• Exact Mass: 384.25
• IUPAC Name: 2-(dimethylamino)-8-[(4-propan-2-yloxy-3-prop-2-enylphenyl)methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
• SMILES: C=CCc1cc(CN2CCC3(CC2)N=C(N(C)C)NC3=O)ccc1OC(C)C
• InChI: InChI=1S/C22H32N4O2/c1-6-7-18-14-17(8-9-19(18)28-16(2)3)15-26-12-10-22(11-13-26)20(27)23-21(24-22)25(4)5/h6,8-9,14,16H,1,7,10-13,15H2,2-5H3,(H,23,24,27)
• InChIKey: NDVNUGGFJMWILV-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 57.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.52
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-8-[(4-propan-2-yloxy-3-prop-2-enylphenyl)methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one?

The IUPAC name of 2-(dimethylamino)-8-[(4-propan-2-yloxy-3-prop-2-enylphenyl)methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 131897028) is 2-(dimethylamino)-8-[(4-propan-2-yloxy-3-prop-2-enylphenyl)methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

What is the SMILES notation for 2-(dimethylamino)-8-[(4-propan-2-yloxy-3-prop-2-enylphenyl)methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one?

The canonical SMILES for 2-(dimethylamino)-8-[(4-propan-2-yloxy-3-prop-2-enylphenyl)methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one is C=CCc1cc(CN2CCC3(CC2)N=C(N(C)C)NC3=O)ccc1OC(C)C.

What is the InChIKey of 2-(dimethylamino)-8-[(4-propan-2-yloxy-3-prop-2-enylphenyl)methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one?

The InChIKey is NDVNUGGFJMWILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-6-7-18-14-17(8-9-19(18)28-16(2)3)15-26-12-10-22(11-13-26)20(27)23-21(24-22)25(4)5/h6,8-9,14,16H,1,7,10-13,15H2,2-5H3,(H,23,24,27).

What are the key properties of 2-(dimethylamino)-8-[(4-propan-2-yloxy-3-prop-2-enylphenyl)methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one?

2-(dimethylamino)-8-[(4-propan-2-yloxy-3-prop-2-enylphenyl)methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 384.52 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dimethylamino)-8-[(4-propan-2-yloxy-3-prop-2-enylphenyl)methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 131897028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).