2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]-2,2,6,6-tetramethyl-4-[[1-oxo-1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-yl]amino]piperidin-1-yl]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate

C57H94N4O7 — CID 87989189

About 2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]-2,2,6,6-tetramethyl-4-[[1-oxo-1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-yl]amino]piperidin-1-yl]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate

2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]-2,2,6,6-tetramethyl-4-[[1-oxo-1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-yl]amino]piperidin-1-yl]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate (PubChem CID 87989189) has the molecular formula C57H94N4O7 and a molecular weight of 947.40 g/mol. Its IUPAC name is 2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]-2,2,6,6-tetramethyl-4-[[1-oxo-1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-yl]amino]piperidin-1-yl]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate.

Molecular Properties

• Compound Name: 2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]-2,2,6,6-tetramethyl-4-[[1-oxo-1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-yl]amino]piperidin-1-yl]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
• PubChem CID: 87989189
• Molecular Formula: C57H94N4O7
• Molecular Weight: 947.40 g/mol
• Exact Mass: 946.71
• IUPAC Name: 2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]-2,2,6,6-tetramethyl-4-[[1-oxo-1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-yl]amino]piperidin-1-yl]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
• SMILES: CC(NC1(OC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC(C)(C)N(CCOC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(C)(C)C1)C(=O)NC1CC(C)(C)NC(C)(C)C1
• InChI: InChI=1S/C57H94N4O7/c1-36(48(66)58-39-32-53(14,15)60-54(16,17)33-39)59-57(68-45(63)25-23-38-30-42(51(8,9)10)47(65)43(31-38)52(11,12)13)34-55(18,19)61(56(20,21)35-57)26-27-67-44(62)24-22-37-28-40(49(2,3)4)46(64)41(29-37)50(5,6)7/h28-31,36,39,59-60,64-65H,22-27,32-35H2,1-21H3,(H,58,66)
• InChIKey: NODDRARBKPRXNC-UHFFFAOYSA-N
• XLogP: 10.69
• TPSA: 149.46 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	947.40
LogP ≤ 5	10.69
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]-2,2,6,6-tetramethyl-4-[[1-oxo-1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-yl]amino]piperidin-1-yl]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate?

The IUPAC name of 2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]-2,2,6,6-tetramethyl-4-[[1-oxo-1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-yl]amino]piperidin-1-yl]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate (CID 87989189) is 2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]-2,2,6,6-tetramethyl-4-[[1-oxo-1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-yl]amino]piperidin-1-yl]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate.

What is the SMILES notation for 2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]-2,2,6,6-tetramethyl-4-[[1-oxo-1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-yl]amino]piperidin-1-yl]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate?

The canonical SMILES for 2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]-2,2,6,6-tetramethyl-4-[[1-oxo-1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-yl]amino]piperidin-1-yl]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate is CC(NC1(OC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC(C)(C)N(CCOC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(C)(C)C1)C(=O)NC1CC(C)(C)NC(C)(C)C1.

What is the InChIKey of 2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]-2,2,6,6-tetramethyl-4-[[1-oxo-1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-yl]amino]piperidin-1-yl]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate?

The InChIKey is NODDRARBKPRXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H94N4O7/c1-36(48(66)58-39-32-53(14,15)60-54(16,17)33-39)59-57(68-45(63)25-23-38-30-42(51(8,9)10)47(65)43(31-38)52(11,12)13)34-55(18,19)61(56(20,21)35-57)26-27-67-44(62)24-22-37-28-40(49(2,3)4)46(64)41(29-37)50(5,6)7/h28-31,36,39,59-60,64-65H,22-27,32-35H2,1-21H3,(H,58,66).

What are the key properties of 2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]-2,2,6,6-tetramethyl-4-[[1-oxo-1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-yl]amino]piperidin-1-yl]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate?

2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]-2,2,6,6-tetramethyl-4-[[1-oxo-1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-yl]amino]piperidin-1-yl]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate has a molecular weight of 947.40 g/mol, XLogP of 10.69, 14 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]-2,2,6,6-tetramethyl-4-[[1-oxo-1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-yl]amino]piperidin-1-yl]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate is sourced from PubChem (CID 87989189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).