2-[3-[3-[tert-butyl-[3-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]-2,3-dimethylbutan-2-yl]oxy-methylsilyl]propoxy]-3-methylbutoxy]-N-[3-[[(4-hydroxy-6-methyl-1,4-dihydropyrimidin-2-yl)carbamoylamino]methyl]-3,5,5-trimethylcyclohexyl]-2-methylpropanamide

C45H89N5O7Si2 — CID 142906427

About 2-[3-[3-[tert-butyl-[3-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]-2,3-dimethylbutan-2-yl]oxy-methylsilyl]propoxy]-3-methylbutoxy]-N-[3-[[(4-hydroxy-6-methyl-1,4-dihydropyrimidin-2-yl)carbamoylamino]methyl]-3,5,5-trimethylcyclohexyl]-2-methylpropanamide

2-[3-[3-[tert-butyl-[3-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]-2,3-dimethylbutan-2-yl]oxy-methylsilyl]propoxy]-3-methylbutoxy]-N-[3-[[(4-hydroxy-6-methyl-1,4-dihydropyrimidin-2-yl)carbamoylamino]methyl]-3,5,5-trimethylcyclohexyl]-2-methylpropanamide (PubChem CID 142906427) has the molecular formula C45H89N5O7Si2 and a molecular weight of 868.41 g/mol. Its IUPAC name is 2-[3-[3-[tert-butyl-[3-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]-2,3-dimethylbutan-2-yl]oxy-methylsilyl]propoxy]-3-methylbutoxy]-N-[3-[[(4-hydroxy-6-methyl-1,4-dihydropyrimidin-2-yl)carbamoylamino]methyl]-3,5,5-trimethylcyclohexyl]-2-methylpropanamide.

Molecular Properties

• Compound Name: 2-[3-[3-[tert-butyl-[3-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]-2,3-dimethylbutan-2-yl]oxy-methylsilyl]propoxy]-3-methylbutoxy]-N-[3-[[(4-hydroxy-6-methyl-1,4-dihydropyrimidin-2-yl)carbamoylamino]methyl]-3,5,5-trimethylcyclohexyl]-2-methylpropanamide
• PubChem CID: 142906427
• Molecular Formula: C45H89N5O7Si2
• Molecular Weight: 868.41 g/mol
• Exact Mass: 867.63
• IUPAC Name: 2-[3-[3-[tert-butyl-[3-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]-2,3-dimethylbutan-2-yl]oxy-methylsilyl]propoxy]-3-methylbutoxy]-N-[3-[[(4-hydroxy-6-methyl-1,4-dihydropyrimidin-2-yl)carbamoylamino]methyl]-3,5,5-trimethylcyclohexyl]-2-methylpropanamide
• SMILES: CC1=CC(O)N=C(NC(=O)NCC2(C)CC(NC(=O)C(C)(C)OCCC(C)(C)OCCC[Si](C)(OC(C)(C)C(C)(C)[Si](C)(C)OC(C)(C)C)C(C)(C)C)CC(C)(C)C2)N1
• InChI: InChI=1S/C45H89N5O7Si2/c1-32-27-34(51)49-36(47-32)50-37(53)46-31-45(18)29-33(28-40(8,9)30-45)48-35(52)42(12,13)55-25-23-41(10,11)54-24-22-26-59(21,39(5,6)7)57-43(14,15)44(16,17)58(19,20)56-38(2,3)4/h27,33-34,51H,22-26,28-31H2,1-21H3,(H,48,52)(H3,46,47,49,50,53)
• InChIKey: AIBRVQMTXAZQIE-UHFFFAOYSA-N
• XLogP: 9.51
• TPSA: 151.77 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 18
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	868.41
LogP ≤ 5	9.51
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[tert-butyl-[3-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]-2,3-dimethylbutan-2-yl]oxy-methylsilyl]propoxy]-3-methylbutoxy]-N-[3-[[(4-hydroxy-6-methyl-1,4-dihydropyrimidin-2-yl)carbamoylamino]methyl]-3,5,5-trimethylcyclohexyl]-2-methylpropanamide?

The IUPAC name of 2-[3-[3-[tert-butyl-[3-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]-2,3-dimethylbutan-2-yl]oxy-methylsilyl]propoxy]-3-methylbutoxy]-N-[3-[[(4-hydroxy-6-methyl-1,4-dihydropyrimidin-2-yl)carbamoylamino]methyl]-3,5,5-trimethylcyclohexyl]-2-methylpropanamide (CID 142906427) is 2-[3-[3-[tert-butyl-[3-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]-2,3-dimethylbutan-2-yl]oxy-methylsilyl]propoxy]-3-methylbutoxy]-N-[3-[[(4-hydroxy-6-methyl-1,4-dihydropyrimidin-2-yl)carbamoylamino]methyl]-3,5,5-trimethylcyclohexyl]-2-methylpropanamide.

What is the SMILES notation for 2-[3-[3-[tert-butyl-[3-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]-2,3-dimethylbutan-2-yl]oxy-methylsilyl]propoxy]-3-methylbutoxy]-N-[3-[[(4-hydroxy-6-methyl-1,4-dihydropyrimidin-2-yl)carbamoylamino]methyl]-3,5,5-trimethylcyclohexyl]-2-methylpropanamide?

The canonical SMILES for 2-[3-[3-[tert-butyl-[3-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]-2,3-dimethylbutan-2-yl]oxy-methylsilyl]propoxy]-3-methylbutoxy]-N-[3-[[(4-hydroxy-6-methyl-1,4-dihydropyrimidin-2-yl)carbamoylamino]methyl]-3,5,5-trimethylcyclohexyl]-2-methylpropanamide is CC1=CC(O)N=C(NC(=O)NCC2(C)CC(NC(=O)C(C)(C)OCCC(C)(C)OCCC[Si](C)(OC(C)(C)C(C)(C)[Si](C)(C)OC(C)(C)C)C(C)(C)C)CC(C)(C)C2)N1.

What is the InChIKey of 2-[3-[3-[tert-butyl-[3-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]-2,3-dimethylbutan-2-yl]oxy-methylsilyl]propoxy]-3-methylbutoxy]-N-[3-[[(4-hydroxy-6-methyl-1,4-dihydropyrimidin-2-yl)carbamoylamino]methyl]-3,5,5-trimethylcyclohexyl]-2-methylpropanamide?

The InChIKey is AIBRVQMTXAZQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H89N5O7Si2/c1-32-27-34(51)49-36(47-32)50-37(53)46-31-45(18)29-33(28-40(8,9)30-45)48-35(52)42(12,13)55-25-23-41(10,11)54-24-22-26-59(21,39(5,6)7)57-43(14,15)44(16,17)58(19,20)56-38(2,3)4/h27,33-34,51H,22-26,28-31H2,1-21H3,(H,48,52)(H3,46,47,49,50,53).

What are the key properties of 2-[3-[3-[tert-butyl-[3-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]-2,3-dimethylbutan-2-yl]oxy-methylsilyl]propoxy]-3-methylbutoxy]-N-[3-[[(4-hydroxy-6-methyl-1,4-dihydropyrimidin-2-yl)carbamoylamino]methyl]-3,5,5-trimethylcyclohexyl]-2-methylpropanamide?

2-[3-[3-[tert-butyl-[3-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]-2,3-dimethylbutan-2-yl]oxy-methylsilyl]propoxy]-3-methylbutoxy]-N-[3-[[(4-hydroxy-6-methyl-1,4-dihydropyrimidin-2-yl)carbamoylamino]methyl]-3,5,5-trimethylcyclohexyl]-2-methylpropanamide has a molecular weight of 868.41 g/mol, XLogP of 9.51, 18 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[tert-butyl-[3-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]-2,3-dimethylbutan-2-yl]oxy-methylsilyl]propoxy]-3-methylbutoxy]-N-[3-[[(4-hydroxy-6-methyl-1,4-dihydropyrimidin-2-yl)carbamoylamino]methyl]-3,5,5-trimethylcyclohexyl]-2-methylpropanamide is sourced from PubChem (CID 142906427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).