bis[1-(diethylcarbamoyl)-2,2,6,6-tetramethylpiperidin-4-yl] 2,2-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate

C61H100N4O8 — CID 21324544

IUPACbis[1-(diethylcarbamoyl)-2,2,6,6-tetramethylpiperidin-4-yl] 2,2-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate
SMILESCCN(CC)C(=O)N1C(C)(C)CC(OC(=O)C(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)OC2CC(C)(C)N(C(=O)N(CC)CC)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C61H100N4O8/c1-25-62(26-2)51(70)64-57(17,18)35-41(36-58(64,19)20)72-49(68)61(33-39-29-43(53(5,6)7)47(66)44(30-39)54(8,9)10,34-40-31-45(55(11,12)13)48(67)46(32-40)56(14,15)16)50(69)73-42-37-59(21,22)65(60(23,24)38-42)52(71)63(27-3)28-4/h29-32,41-42,66-67H,25-28,33-38H2,1-24H3
InChIKeySZDIKEUFVOSOGU-UHFFFAOYSA-N
MW1017.49 g/mol
LogP13.11
Rot. Bonds12

About bis[1-(diethylcarbamoyl)-2,2,6,6-tetramethylpiperidin-4-yl] 2,2-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate

bis[1-(diethylcarbamoyl)-2,2,6,6-tetramethylpiperidin-4-yl] 2,2-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate (PubChem CID 21324544) has the molecular formula C61H100N4O8 and a molecular weight of 1017.49 g/mol. Its IUPAC name is bis[1-(diethylcarbamoyl)-2,2,6,6-tetramethylpiperidin-4-yl] 2,2-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate.

Molecular Properties

Compound Namebis[1-(diethylcarbamoyl)-2,2,6,6-tetramethylpiperidin-4-yl] 2,2-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate
PubChem CID21324544
Molecular FormulaC61H100N4O8
Molecular Weight1017.49 g/mol
Exact Mass1016.75
IUPAC Namebis[1-(diethylcarbamoyl)-2,2,6,6-tetramethylpiperidin-4-yl] 2,2-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate
SMILESCCN(CC)C(=O)N1C(C)(C)CC(OC(=O)C(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)OC2CC(C)(C)N(C(=O)N(CC)CC)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C61H100N4O8/c1-25-62(26-2)51(70)64-57(17,18)35-41(36-58(64,19)20)72-49(68)61(33-39-29-43(53(5,6)7)47(66)44(30-39)54(8,9)10,34-40-31-45(55(11,12)13)48(67)46(32-40)56(14,15)16)50(69)73-42-37-59(21,22)65(60(23,24)38-42)52(71)63(27-3)28-4/h29-32,41-42,66-67H,25-28,33-38H2,1-24H3
InChIKeySZDIKEUFVOSOGU-UHFFFAOYSA-N
XLogP13.11
TPSA140.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001017.49
LogP ≤ 513.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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CID 64868
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CID 14817840
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CID 91136357
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CID 6453377
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CID 11664746
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CID 13954896
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CID 14093876
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CID 14274831
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CID 14454717
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CID 14512551
CID 14512551

Frequently Asked Questions

What is the IUPAC name of bis[1-(diethylcarbamoyl)-2,2,6,6-tetramethylpiperidin-4-yl] 2,2-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate?
The IUPAC name of bis[1-(diethylcarbamoyl)-2,2,6,6-tetramethylpiperidin-4-yl] 2,2-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate (CID 21324544) is bis[1-(diethylcarbamoyl)-2,2,6,6-tetramethylpiperidin-4-yl] 2,2-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate.
What is the SMILES notation for bis[1-(diethylcarbamoyl)-2,2,6,6-tetramethylpiperidin-4-yl] 2,2-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate?
The canonical SMILES for bis[1-(diethylcarbamoyl)-2,2,6,6-tetramethylpiperidin-4-yl] 2,2-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate is CCN(CC)C(=O)N1C(C)(C)CC(OC(=O)C(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)OC2CC(C)(C)N(C(=O)N(CC)CC)C(C)(C)C2)CC1(C)C.
What is the InChIKey of bis[1-(diethylcarbamoyl)-2,2,6,6-tetramethylpiperidin-4-yl] 2,2-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate?
The InChIKey is SZDIKEUFVOSOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H100N4O8/c1-25-62(26-2)51(70)64-57(17,18)35-41(36-58(64,19)20)72-49(68)61(33-39-29-43(53(5,6)7)47(66)44(30-39)54(8,9)10,34-40-31-45(55(11,12)13)48(67)46(32-40)56(14,15)16)50(69)73-42-37-59(21,22)65(60(23,24)38-42)52(71)63(27-3)28-4/h29-32,41-42,66-67H,25-28,33-38H2,1-24H3.
What are the key properties of bis[1-(diethylcarbamoyl)-2,2,6,6-tetramethylpiperidin-4-yl] 2,2-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate?
bis[1-(diethylcarbamoyl)-2,2,6,6-tetramethylpiperidin-4-yl] 2,2-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate has a molecular weight of 1017.49 g/mol, XLogP of 13.11, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis[1-(diethylcarbamoyl)-2,2,6,6-tetramethylpiperidin-4-yl] 2,2-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate is sourced from PubChem (CID 21324544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).