tert-butyl 4-[4-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]-2-[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]pentanoate

C38H59NO6 — CID 89460072

IUPACtert-butyl 4-[4-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]-2-[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]pentanoate
SMILESCOCCOCCOCc1ccc(C(C)CC(CC(ON2C(C)(C)CCCC2(C)C)c2ccccc2)C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C38H59NO6/c1-29(31-18-16-30(17-19-31)28-43-25-24-42-23-22-41-9)26-33(35(40)44-36(2,3)4)27-34(32-14-11-10-12-15-32)45-39-37(5,6)20-13-21-38(39,7)8/h10-12,14-19,29,33-34H,13,20-28H2,1-9H3
InChIKeyUXUREAAACFXCDT-UHFFFAOYSA-N
MW625.89 g/mol
LogP8.42
Rot. Bonds17

About tert-butyl 4-[4-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]-2-[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]pentanoate

tert-butyl 4-[4-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]-2-[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]pentanoate (PubChem CID 89460072) has the molecular formula C38H59NO6 and a molecular weight of 625.89 g/mol. Its IUPAC name is tert-butyl 4-[4-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]-2-[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]pentanoate.

Molecular Properties

Compound Nametert-butyl 4-[4-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]-2-[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]pentanoate
PubChem CID89460072
Molecular FormulaC38H59NO6
Molecular Weight625.89 g/mol
Exact Mass625.43
IUPAC Nametert-butyl 4-[4-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]-2-[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]pentanoate
SMILESCOCCOCCOCc1ccc(C(C)CC(CC(ON2C(C)(C)CCCC2(C)C)c2ccccc2)C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C38H59NO6/c1-29(31-18-16-30(17-19-31)28-43-25-24-42-23-22-41-9)26-33(35(40)44-36(2,3)4)27-34(32-14-11-10-12-15-32)45-39-37(5,6)20-13-21-38(39,7)8/h10-12,14-19,29,33-34H,13,20-28H2,1-9H3
InChIKeyUXUREAAACFXCDT-UHFFFAOYSA-N
XLogP8.42
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.89
LogP ≤ 58.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1,3-diphenyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-1-one
CID 57081141
[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] 3-(2-bromo-2-methylpropanoyl)oxy-2-[(2-bromo-2-methylpropanoyl)oxymethyl]-2-methylpropanoate
CID 101364279
methyl 3-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate
CID 13213172
1-[1-[4-[[3,5-bis[[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]ethoxy]-2,2,6,6-tetramethylpiperidine
CID 101371646
tert-butyl 2-ethyl-4-(4-hydroxyphenyl)pentanoate
CID 59893070
[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methanol
CID 11666460
2,2,6,6-tetramethyl-1-[2-(oxiran-2-ylmethoxy)-1-phenylethoxy]piperidine
CID 22277884
2-[2-(2-methoxyethoxy)ethoxy]ethoxymethylbenzene
CID 15050635
ditert-butyl (2S,4S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[[4-(3-phenylmethoxypropyl)phenyl]methyl]pentanedioate
CID 131734509
chloro-dimethyl-[9-[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethoxy]nonyl]silane
CID 100969512
[4-[1,5-diphenyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyheptan-3-yl]phenyl]-diphenylphosphane
CID 139213166
tert-butyl (2R)-2-(phenylmethoxymethyl)butanoate
CID 134963822

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]-2-[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]pentanoate?
The IUPAC name of tert-butyl 4-[4-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]-2-[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]pentanoate (CID 89460072) is tert-butyl 4-[4-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]-2-[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]pentanoate.
What is the SMILES notation for tert-butyl 4-[4-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]-2-[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]pentanoate?
The canonical SMILES for tert-butyl 4-[4-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]-2-[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]pentanoate is COCCOCCOCc1ccc(C(C)CC(CC(ON2C(C)(C)CCCC2(C)C)c2ccccc2)C(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl 4-[4-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]-2-[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]pentanoate?
The InChIKey is UXUREAAACFXCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H59NO6/c1-29(31-18-16-30(17-19-31)28-43-25-24-42-23-22-41-9)26-33(35(40)44-36(2,3)4)27-34(32-14-11-10-12-15-32)45-39-37(5,6)20-13-21-38(39,7)8/h10-12,14-19,29,33-34H,13,20-28H2,1-9H3.
What are the key properties of tert-butyl 4-[4-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]-2-[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]pentanoate?
tert-butyl 4-[4-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]-2-[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]pentanoate has a molecular weight of 625.89 g/mol, XLogP of 8.42, 17 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]-2-[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]pentanoate is sourced from PubChem (CID 89460072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).