4-[(1R)-1-[2-(3,5-dichlorophenyl)-3-oxo-8-trimethylsilyl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(2,3-dihydro-1H-tetrazol-5-ylmethyl)benzamide

C33H45Cl2N7O2Si — CID 90334596

About 4-[(1R)-1-[2-(3,5-dichlorophenyl)-3-oxo-8-trimethylsilyl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(2,3-dihydro-1H-tetrazol-5-ylmethyl)benzamide

4-[(1R)-1-[2-(3,5-dichlorophenyl)-3-oxo-8-trimethylsilyl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(2,3-dihydro-1H-tetrazol-5-ylmethyl)benzamide (PubChem CID 90334596) has the molecular formula C33H45Cl2N7O2Si and a molecular weight of 670.76 g/mol. Its IUPAC name is 4-[(1R)-1-[2-(3,5-dichlorophenyl)-3-oxo-8-trimethylsilyl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(2,3-dihydro-1H-tetrazol-5-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 4-[(1R)-1-[2-(3,5-dichlorophenyl)-3-oxo-8-trimethylsilyl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(2,3-dihydro-1H-tetrazol-5-ylmethyl)benzamide
• PubChem CID: 90334596
• Molecular Formula: C33H45Cl2N7O2Si
• Molecular Weight: 670.76 g/mol
• Exact Mass: 669.28
• IUPAC Name: 4-[(1R)-1-[2-(3,5-dichlorophenyl)-3-oxo-8-trimethylsilyl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(2,3-dihydro-1H-tetrazol-5-ylmethyl)benzamide
• SMILES: CC(C)(C)CC[C@H](c1ccc(C(=O)NCC2=NNNN2)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC12CCC([Si](C)(C)C)CC2
• InChI: InChI=1S/C33H45Cl2N7O2Si/c1-32(2,3)14-13-27(21-7-9-22(10-8-21)30(43)36-20-28-38-40-41-39-28)42-31(44)29(23-17-24(34)19-25(35)18-23)37-33(42)15-11-26(12-16-33)45(4,5)6/h7-10,17-19,26-27,40-41H,11-16,20H2,1-6H3,(H,36,43)(H,38,39)/t26?,27-,33?/m1/s1
• InChIKey: HOPJZOODYKGFAS-ZIYYPANSSA-N
• XLogP: 6.83
• TPSA: 110.22 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	670.76
LogP ≤ 5	6.83
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-[2-(3,5-dichlorophenyl)-3-oxo-8-trimethylsilyl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(2,3-dihydro-1H-tetrazol-5-ylmethyl)benzamide?

The IUPAC name of 4-[(1R)-1-[2-(3,5-dichlorophenyl)-3-oxo-8-trimethylsilyl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(2,3-dihydro-1H-tetrazol-5-ylmethyl)benzamide (CID 90334596) is 4-[(1R)-1-[2-(3,5-dichlorophenyl)-3-oxo-8-trimethylsilyl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(2,3-dihydro-1H-tetrazol-5-ylmethyl)benzamide.

What is the SMILES notation for 4-[(1R)-1-[2-(3,5-dichlorophenyl)-3-oxo-8-trimethylsilyl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(2,3-dihydro-1H-tetrazol-5-ylmethyl)benzamide?

The canonical SMILES for 4-[(1R)-1-[2-(3,5-dichlorophenyl)-3-oxo-8-trimethylsilyl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(2,3-dihydro-1H-tetrazol-5-ylmethyl)benzamide is CC(C)(C)CC[C@H](c1ccc(C(=O)NCC2=NNNN2)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC12CCC([Si](C)(C)C)CC2.

What is the InChIKey of 4-[(1R)-1-[2-(3,5-dichlorophenyl)-3-oxo-8-trimethylsilyl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(2,3-dihydro-1H-tetrazol-5-ylmethyl)benzamide?

The InChIKey is HOPJZOODYKGFAS-ZIYYPANSSA-N. The full InChI is InChI=1S/C33H45Cl2N7O2Si/c1-32(2,3)14-13-27(21-7-9-22(10-8-21)30(43)36-20-28-38-40-41-39-28)42-31(44)29(23-17-24(34)19-25(35)18-23)37-33(42)15-11-26(12-16-33)45(4,5)6/h7-10,17-19,26-27,40-41H,11-16,20H2,1-6H3,(H,36,43)(H,38,39)/t26?,27-,33?/m1/s1.

What are the key properties of 4-[(1R)-1-[2-(3,5-dichlorophenyl)-3-oxo-8-trimethylsilyl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(2,3-dihydro-1H-tetrazol-5-ylmethyl)benzamide?

4-[(1R)-1-[2-(3,5-dichlorophenyl)-3-oxo-8-trimethylsilyl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(2,3-dihydro-1H-tetrazol-5-ylmethyl)benzamide has a molecular weight of 670.76 g/mol, XLogP of 6.83, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(1R)-1-[2-(3,5-dichlorophenyl)-3-oxo-8-trimethylsilyl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(2,3-dihydro-1H-tetrazol-5-ylmethyl)benzamide is sourced from PubChem (CID 90334596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).