4-[tert-butyl(dimethyl)silyl]oxy-N-[[4-(3-ethyl-4-methoxyphenyl)cyclohexyl]methyl]-N-[3-(3-methyl-1,2,4-triazol-1-yl)phenyl]cyclohexane-1-carboxamide

C38H56N4O3Si — CID 142430656

About 4-[tert-butyl(dimethyl)silyl]oxy-N-[[4-(3-ethyl-4-methoxyphenyl)cyclohexyl]methyl]-N-[3-(3-methyl-1,2,4-triazol-1-yl)phenyl]cyclohexane-1-carboxamide

4-[tert-butyl(dimethyl)silyl]oxy-N-[[4-(3-ethyl-4-methoxyphenyl)cyclohexyl]methyl]-N-[3-(3-methyl-1,2,4-triazol-1-yl)phenyl]cyclohexane-1-carboxamide (PubChem CID 142430656) has the molecular formula C38H56N4O3Si and a molecular weight of 644.98 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-N-[[4-(3-ethyl-4-methoxyphenyl)cyclohexyl]methyl]-N-[3-(3-methyl-1,2,4-triazol-1-yl)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: 4-[tert-butyl(dimethyl)silyl]oxy-N-[[4-(3-ethyl-4-methoxyphenyl)cyclohexyl]methyl]-N-[3-(3-methyl-1,2,4-triazol-1-yl)phenyl]cyclohexane-1-carboxamide
• PubChem CID: 142430656
• Molecular Formula: C38H56N4O3Si
• Molecular Weight: 644.98 g/mol
• Exact Mass: 644.41
• IUPAC Name: 4-[tert-butyl(dimethyl)silyl]oxy-N-[[4-(3-ethyl-4-methoxyphenyl)cyclohexyl]methyl]-N-[3-(3-methyl-1,2,4-triazol-1-yl)phenyl]cyclohexane-1-carboxamide
• SMILES: CCc1cc(C2CCC(CN(C(=O)C3CCC(O[Si](C)(C)C(C)(C)C)CC3)c3cccc(-n4cnc(C)n4)c3)CC2)ccc1OC
• InChI: InChI=1S/C38H56N4O3Si/c1-9-29-23-32(19-22-36(29)44-6)30-15-13-28(14-16-30)25-41(33-11-10-12-34(24-33)42-26-39-27(2)40-42)37(43)31-17-20-35(21-18-31)45-46(7,8)38(3,4)5/h10-12,19,22-24,26,28,30-31,35H,9,13-18,20-21,25H2,1-8H3
• InChIKey: CKSDQJDNJFWYBV-UHFFFAOYSA-N
• XLogP: 9.03
• TPSA: 69.48 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	644.98
LogP ≤ 5	9.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-N-[[4-(3-ethyl-4-methoxyphenyl)cyclohexyl]methyl]-N-[3-(3-methyl-1,2,4-triazol-1-yl)phenyl]cyclohexane-1-carboxamide?

The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-N-[[4-(3-ethyl-4-methoxyphenyl)cyclohexyl]methyl]-N-[3-(3-methyl-1,2,4-triazol-1-yl)phenyl]cyclohexane-1-carboxamide (CID 142430656) is 4-[tert-butyl(dimethyl)silyl]oxy-N-[[4-(3-ethyl-4-methoxyphenyl)cyclohexyl]methyl]-N-[3-(3-methyl-1,2,4-triazol-1-yl)phenyl]cyclohexane-1-carboxamide.

What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-N-[[4-(3-ethyl-4-methoxyphenyl)cyclohexyl]methyl]-N-[3-(3-methyl-1,2,4-triazol-1-yl)phenyl]cyclohexane-1-carboxamide?

The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-N-[[4-(3-ethyl-4-methoxyphenyl)cyclohexyl]methyl]-N-[3-(3-methyl-1,2,4-triazol-1-yl)phenyl]cyclohexane-1-carboxamide is CCc1cc(C2CCC(CN(C(=O)C3CCC(O[Si](C)(C)C(C)(C)C)CC3)c3cccc(-n4cnc(C)n4)c3)CC2)ccc1OC.

What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-N-[[4-(3-ethyl-4-methoxyphenyl)cyclohexyl]methyl]-N-[3-(3-methyl-1,2,4-triazol-1-yl)phenyl]cyclohexane-1-carboxamide?

The InChIKey is CKSDQJDNJFWYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H56N4O3Si/c1-9-29-23-32(19-22-36(29)44-6)30-15-13-28(14-16-30)25-41(33-11-10-12-34(24-33)42-26-39-27(2)40-42)37(43)31-17-20-35(21-18-31)45-46(7,8)38(3,4)5/h10-12,19,22-24,26,28,30-31,35H,9,13-18,20-21,25H2,1-8H3.

What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-N-[[4-(3-ethyl-4-methoxyphenyl)cyclohexyl]methyl]-N-[3-(3-methyl-1,2,4-triazol-1-yl)phenyl]cyclohexane-1-carboxamide?

4-[tert-butyl(dimethyl)silyl]oxy-N-[[4-(3-ethyl-4-methoxyphenyl)cyclohexyl]methyl]-N-[3-(3-methyl-1,2,4-triazol-1-yl)phenyl]cyclohexane-1-carboxamide has a molecular weight of 644.98 g/mol, XLogP of 9.03, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[tert-butyl(dimethyl)silyl]oxy-N-[[4-(3-ethyl-4-methoxyphenyl)cyclohexyl]methyl]-N-[3-(3-methyl-1,2,4-triazol-1-yl)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 142430656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).