N-[3-[8-[tert-butyl(dimethyl)silyl]oxy-6-azaspiro[2.5]octan-6-yl]propyl]-2-(3,4-dichloroanilino)-N-(2,2-dimethoxyethyl)butanamide

C30H51Cl2N3O4Si — CID 66782809

About N-[3-[8-[tert-butyl(dimethyl)silyl]oxy-6-azaspiro[2.5]octan-6-yl]propyl]-2-(3,4-dichloroanilino)-N-(2,2-dimethoxyethyl)butanamide

N-[3-[8-[tert-butyl(dimethyl)silyl]oxy-6-azaspiro[2.5]octan-6-yl]propyl]-2-(3,4-dichloroanilino)-N-(2,2-dimethoxyethyl)butanamide (PubChem CID 66782809) has the molecular formula C30H51Cl2N3O4Si and a molecular weight of 616.75 g/mol. Its IUPAC name is N-[3-[8-[tert-butyl(dimethyl)silyl]oxy-6-azaspiro[2.5]octan-6-yl]propyl]-2-(3,4-dichloroanilino)-N-(2,2-dimethoxyethyl)butanamide.

Molecular Properties

• Compound Name: N-[3-[8-[tert-butyl(dimethyl)silyl]oxy-6-azaspiro[2.5]octan-6-yl]propyl]-2-(3,4-dichloroanilino)-N-(2,2-dimethoxyethyl)butanamide
• PubChem CID: 66782809
• Molecular Formula: C30H51Cl2N3O4Si
• Molecular Weight: 616.75 g/mol
• Exact Mass: 615.30
• IUPAC Name: N-[3-[8-[tert-butyl(dimethyl)silyl]oxy-6-azaspiro[2.5]octan-6-yl]propyl]-2-(3,4-dichloroanilino)-N-(2,2-dimethoxyethyl)butanamide
• SMILES: CCC(Nc1ccc(Cl)c(Cl)c1)C(=O)N(CCCN1CCC2(CC2)C(O[Si](C)(C)C(C)(C)C)C1)CC(OC)OC
• InChI: InChI=1S/C30H51Cl2N3O4Si/c1-9-25(33-22-11-12-23(31)24(32)19-22)28(36)35(21-27(37-5)38-6)17-10-16-34-18-15-30(13-14-30)26(20-34)39-40(7,8)29(2,3)4/h11-12,19,25-27,33H,9-10,13-18,20-21H2,1-8H3
• InChIKey: UNADOOOCQWGPJX-UHFFFAOYSA-N
• XLogP: 6.90
• TPSA: 63.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	616.75
LogP ≤ 5	6.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[8-[tert-butyl(dimethyl)silyl]oxy-6-azaspiro[2.5]octan-6-yl]propyl]-2-(3,4-dichloroanilino)-N-(2,2-dimethoxyethyl)butanamide?

The IUPAC name of N-[3-[8-[tert-butyl(dimethyl)silyl]oxy-6-azaspiro[2.5]octan-6-yl]propyl]-2-(3,4-dichloroanilino)-N-(2,2-dimethoxyethyl)butanamide (CID 66782809) is N-[3-[8-[tert-butyl(dimethyl)silyl]oxy-6-azaspiro[2.5]octan-6-yl]propyl]-2-(3,4-dichloroanilino)-N-(2,2-dimethoxyethyl)butanamide.

What is the SMILES notation for N-[3-[8-[tert-butyl(dimethyl)silyl]oxy-6-azaspiro[2.5]octan-6-yl]propyl]-2-(3,4-dichloroanilino)-N-(2,2-dimethoxyethyl)butanamide?

The canonical SMILES for N-[3-[8-[tert-butyl(dimethyl)silyl]oxy-6-azaspiro[2.5]octan-6-yl]propyl]-2-(3,4-dichloroanilino)-N-(2,2-dimethoxyethyl)butanamide is CCC(Nc1ccc(Cl)c(Cl)c1)C(=O)N(CCCN1CCC2(CC2)C(O[Si](C)(C)C(C)(C)C)C1)CC(OC)OC.

What is the InChIKey of N-[3-[8-[tert-butyl(dimethyl)silyl]oxy-6-azaspiro[2.5]octan-6-yl]propyl]-2-(3,4-dichloroanilino)-N-(2,2-dimethoxyethyl)butanamide?

The InChIKey is UNADOOOCQWGPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H51Cl2N3O4Si/c1-9-25(33-22-11-12-23(31)24(32)19-22)28(36)35(21-27(37-5)38-6)17-10-16-34-18-15-30(13-14-30)26(20-34)39-40(7,8)29(2,3)4/h11-12,19,25-27,33H,9-10,13-18,20-21H2,1-8H3.

What are the key properties of N-[3-[8-[tert-butyl(dimethyl)silyl]oxy-6-azaspiro[2.5]octan-6-yl]propyl]-2-(3,4-dichloroanilino)-N-(2,2-dimethoxyethyl)butanamide?

N-[3-[8-[tert-butyl(dimethyl)silyl]oxy-6-azaspiro[2.5]octan-6-yl]propyl]-2-(3,4-dichloroanilino)-N-(2,2-dimethoxyethyl)butanamide has a molecular weight of 616.75 g/mol, XLogP of 6.90, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[8-[tert-butyl(dimethyl)silyl]oxy-6-azaspiro[2.5]octan-6-yl]propyl]-2-(3,4-dichloroanilino)-N-(2,2-dimethoxyethyl)butanamide is sourced from PubChem (CID 66782809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).