4-[tert-butyl(dimethyl)silyl]oxy-N-[3-[5-(dimethylamino)-2-pyridinyl]phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide

C41H59N3O3Si — CID 142430704

About 4-[tert-butyl(dimethyl)silyl]oxy-N-[3-[5-(dimethylamino)-2-pyridinyl]phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide

4-[tert-butyl(dimethyl)silyl]oxy-N-[3-[5-(dimethylamino)-2-pyridinyl]phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide (PubChem CID 142430704) has the molecular formula C41H59N3O3Si and a molecular weight of 670.03 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-N-[3-[5-(dimethylamino)-2-pyridinyl]phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: 4-[tert-butyl(dimethyl)silyl]oxy-N-[3-[5-(dimethylamino)-2-pyridinyl]phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
• PubChem CID: 142430704
• Molecular Formula: C41H59N3O3Si
• Molecular Weight: 670.03 g/mol
• Exact Mass: 669.43
• IUPAC Name: 4-[tert-butyl(dimethyl)silyl]oxy-N-[3-[5-(dimethylamino)-2-pyridinyl]phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
• SMILES: COc1ccc(C2CCC(CN(C(=O)C3CCC(O[Si](C)(C)C(C)(C)C)CC3)c3cccc(-c4ccc(N(C)C)cn4)c3)CC2)cc1C
• InChI: InChI=1S/C41H59N3O3Si/c1-29-25-33(19-24-39(29)46-7)31-15-13-30(14-16-31)28-44(35-12-10-11-34(26-35)38-23-20-36(27-42-38)43(5)6)40(45)32-17-21-37(22-18-32)47-48(8,9)41(2,3)4/h10-12,19-20,23-27,30-32,37H,13-18,21-22,28H2,1-9H3
• InChIKey: FJPLWNWSOBOAHA-UHFFFAOYSA-N
• XLogP: 10.02
• TPSA: 54.90 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	670.03
LogP ≤ 5	10.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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-[3-[5-(dimethylamino)-2-pyridinyl]phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide?

The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-N-[3-[5-(dimethylamino)-2-pyridinyl]phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide (CID 142430704) is 4-[tert-butyl(dimethyl)silyl]oxy-N-[3-[5-(dimethylamino)-2-pyridinyl]phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide.

What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-N-[3-[5-(dimethylamino)-2-pyridinyl]phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide?

The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-N-[3-[5-(dimethylamino)-2-pyridinyl]phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide is COc1ccc(C2CCC(CN(C(=O)C3CCC(O[Si](C)(C)C(C)(C)C)CC3)c3cccc(-c4ccc(N(C)C)cn4)c3)CC2)cc1C.

What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-N-[3-[5-(dimethylamino)-2-pyridinyl]phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide?

The InChIKey is FJPLWNWSOBOAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H59N3O3Si/c1-29-25-33(19-24-39(29)46-7)31-15-13-30(14-16-31)28-44(35-12-10-11-34(26-35)38-23-20-36(27-42-38)43(5)6)40(45)32-17-21-37(22-18-32)47-48(8,9)41(2,3)4/h10-12,19-20,23-27,30-32,37H,13-18,21-22,28H2,1-9H3.

What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-N-[3-[5-(dimethylamino)-2-pyridinyl]phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide?

4-[tert-butyl(dimethyl)silyl]oxy-N-[3-[5-(dimethylamino)-2-pyridinyl]phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide has a molecular weight of 670.03 g/mol, XLogP of 10.02, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[tert-butyl(dimethyl)silyl]oxy-N-[3-[5-(dimethylamino)-2-pyridinyl]phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 142430704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).