[3-(4-hydroxyphenyl)-2-(4-methylphenyl)-2,7-diazaspiro[3.5]nonan-7-yl]-(3,4,5-trimethoxyphenyl)methanone

C30H34N2O5 — CID 143643962

About [3-(4-hydroxyphenyl)-2-(4-methylphenyl)-2,7-diazaspiro[3.5]nonan-7-yl]-(3,4,5-trimethoxyphenyl)methanone

[3-(4-hydroxyphenyl)-2-(4-methylphenyl)-2,7-diazaspiro[3.5]nonan-7-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 143643962) has the molecular formula C30H34N2O5 and a molecular weight of 502.61 g/mol. Its IUPAC name is [3-(4-hydroxyphenyl)-2-(4-methylphenyl)-2,7-diazaspiro[3.5]nonan-7-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

• Compound Name: [3-(4-hydroxyphenyl)-2-(4-methylphenyl)-2,7-diazaspiro[3.5]nonan-7-yl]-(3,4,5-trimethoxyphenyl)methanone
• PubChem CID: 143643962
• Molecular Formula: C30H34N2O5
• Molecular Weight: 502.61 g/mol
• Exact Mass: 502.25
• IUPAC Name: [3-(4-hydroxyphenyl)-2-(4-methylphenyl)-2,7-diazaspiro[3.5]nonan-7-yl]-(3,4,5-trimethoxyphenyl)methanone
• SMILES: COc1cc(C(=O)N2CCC3(CC2)CN(c2ccc(C)cc2)C3c2ccc(O)cc2)cc(OC)c1OC
• InChI: InChI=1S/C30H34N2O5/c1-20-5-9-23(10-6-20)32-19-30(28(32)21-7-11-24(33)12-8-21)13-15-31(16-14-30)29(34)22-17-25(35-2)27(37-4)26(18-22)36-3/h5-12,17-18,28,33H,13-16,19H2,1-4H3
• InChIKey: LKJMZGQOHOXQKY-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 71.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.61
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-(4-hydroxyphenyl)-2-(4-methylphenyl)-2,7-diazaspiro[3.5]nonan-7-yl]-(3,4,5-trimethoxyphenyl)methanone?

The IUPAC name of [3-(4-hydroxyphenyl)-2-(4-methylphenyl)-2,7-diazaspiro[3.5]nonan-7-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 143643962) is [3-(4-hydroxyphenyl)-2-(4-methylphenyl)-2,7-diazaspiro[3.5]nonan-7-yl]-(3,4,5-trimethoxyphenyl)methanone.

What is the SMILES notation for [3-(4-hydroxyphenyl)-2-(4-methylphenyl)-2,7-diazaspiro[3.5]nonan-7-yl]-(3,4,5-trimethoxyphenyl)methanone?

The canonical SMILES for [3-(4-hydroxyphenyl)-2-(4-methylphenyl)-2,7-diazaspiro[3.5]nonan-7-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)N2CCC3(CC2)CN(c2ccc(C)cc2)C3c2ccc(O)cc2)cc(OC)c1OC.

What is the InChIKey of [3-(4-hydroxyphenyl)-2-(4-methylphenyl)-2,7-diazaspiro[3.5]nonan-7-yl]-(3,4,5-trimethoxyphenyl)methanone?

The InChIKey is LKJMZGQOHOXQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O5/c1-20-5-9-23(10-6-20)32-19-30(28(32)21-7-11-24(33)12-8-21)13-15-31(16-14-30)29(34)22-17-25(35-2)27(37-4)26(18-22)36-3/h5-12,17-18,28,33H,13-16,19H2,1-4H3.

What are the key properties of [3-(4-hydroxyphenyl)-2-(4-methylphenyl)-2,7-diazaspiro[3.5]nonan-7-yl]-(3,4,5-trimethoxyphenyl)methanone?

[3-(4-hydroxyphenyl)-2-(4-methylphenyl)-2,7-diazaspiro[3.5]nonan-7-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 502.61 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(4-hydroxyphenyl)-2-(4-methylphenyl)-2,7-diazaspiro[3.5]nonan-7-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 143643962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).