N-[3-[[2-decoxy-5-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-3-methylphenyl]methyl]-4-hydroxyphenyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide

C58H84N2O6 — CID 143303161

IUPACN-[3-[[2-decoxy-5-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-3-methylphenyl]methyl]-4-hydroxyphenyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide
SMILESCCCCCCCCCCOc1c(C)cc(NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1Cc1cc(NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1O
InChIInChI=1S/C58H84N2O6/c1-15-16-17-18-19-20-21-22-29-66-54-38(2)30-44(60-51(63)28-24-40-33-47(57(9,10)11)53(65)48(34-40)58(12,13)14)37-42(54)35-41-36-43(25-26-49(41)61)59-50(62)27-23-39-31-45(55(3,4)5)52(64)46(32-39)56(6,7)8/h25-26,30-34,36-37,61,64-65H,15-24,27-29,35H2,1-14H3,(H,59,62)(H,60,63)
InChIKeyJIJXKOUEJGBERU-UHFFFAOYSA-N
MW905.32 g/mol
LogP14.55
Rot. Bonds20

About N-[3-[[2-decoxy-5-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-3-methylphenyl]methyl]-4-hydroxyphenyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide

N-[3-[[2-decoxy-5-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-3-methylphenyl]methyl]-4-hydroxyphenyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide (PubChem CID 143303161) has the molecular formula C58H84N2O6 and a molecular weight of 905.32 g/mol. Its IUPAC name is N-[3-[[2-decoxy-5-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-3-methylphenyl]methyl]-4-hydroxyphenyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide.

Molecular Properties

Compound NameN-[3-[[2-decoxy-5-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-3-methylphenyl]methyl]-4-hydroxyphenyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide
PubChem CID143303161
Molecular FormulaC58H84N2O6
Molecular Weight905.32 g/mol
Exact Mass904.63
IUPAC NameN-[3-[[2-decoxy-5-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-3-methylphenyl]methyl]-4-hydroxyphenyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide
SMILESCCCCCCCCCCOc1c(C)cc(NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1Cc1cc(NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1O
InChIInChI=1S/C58H84N2O6/c1-15-16-17-18-19-20-21-22-29-66-54-38(2)30-44(60-51(63)28-24-40-33-47(57(9,10)11)53(65)48(34-40)58(12,13)14)37-42(54)35-41-36-43(25-26-49(41)61)59-50(62)27-23-39-31-45(55(3,4)5)52(64)46(32-39)56(6,7)8/h25-26,30-34,36-37,61,64-65H,15-24,27-29,35H2,1-14H3,(H,59,62)(H,60,63)
InChIKeyJIJXKOUEJGBERU-UHFFFAOYSA-N
XLogP14.55
TPSA128.12 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500905.32
LogP ≤ 514.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-[[2-decoxy-5-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-3-methylphenyl]methyl]-4-hydroxyphenyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide with MolForge

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Related Compounds

N-[3-[[3-tert-butyl-5-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]phenyl]methyl]-4-hydroxyphenyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide
CID 89077882
3-(3,5-ditert-butyl-4-methylphenyl)-N-(4-octoxyphenyl)propanamide
CID 58031341
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[3-[[3-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-5-prop-1-en-2-ylphenyl]methyl]-4-hydroxyphenyl]propanamide
CID 89079945
3-(3,5-ditert-butyl-4-methylphenyl)-N-(4-hydroxy-3-methylphenyl)propanamide
CID 58729892
N-(3,5-ditert-butyl-4-hydroxyphenyl)octanamide
CID 14988663
N-(3-tert-butyl-4-hydroxyphenyl)nonanamide
CID 21290138
N-(3-tert-butyl-4-hydroxyphenyl)octadecanamide
CID 21290134
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-hexylpropanamide
CID 19991674
N-(3-butyl-4-hydroxyphenyl)tetradecanamide
CID 142641305
tetradecyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate
CID 118862021
N-(4-hydroxy-3-methylphenyl)tetradecanamide
CID 91054297
methane;octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 88503135

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-decoxy-5-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-3-methylphenyl]methyl]-4-hydroxyphenyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide?
The IUPAC name of N-[3-[[2-decoxy-5-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-3-methylphenyl]methyl]-4-hydroxyphenyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide (CID 143303161) is N-[3-[[2-decoxy-5-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-3-methylphenyl]methyl]-4-hydroxyphenyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide.
What is the SMILES notation for N-[3-[[2-decoxy-5-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-3-methylphenyl]methyl]-4-hydroxyphenyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide?
The canonical SMILES for N-[3-[[2-decoxy-5-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-3-methylphenyl]methyl]-4-hydroxyphenyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide is CCCCCCCCCCOc1c(C)cc(NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1Cc1cc(NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1O.
What is the InChIKey of N-[3-[[2-decoxy-5-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-3-methylphenyl]methyl]-4-hydroxyphenyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide?
The InChIKey is JIJXKOUEJGBERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H84N2O6/c1-15-16-17-18-19-20-21-22-29-66-54-38(2)30-44(60-51(63)28-24-40-33-47(57(9,10)11)53(65)48(34-40)58(12,13)14)37-42(54)35-41-36-43(25-26-49(41)61)59-50(62)27-23-39-31-45(55(3,4)5)52(64)46(32-39)56(6,7)8/h25-26,30-34,36-37,61,64-65H,15-24,27-29,35H2,1-14H3,(H,59,62)(H,60,63).
What are the key properties of N-[3-[[2-decoxy-5-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-3-methylphenyl]methyl]-4-hydroxyphenyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide?
N-[3-[[2-decoxy-5-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-3-methylphenyl]methyl]-4-hydroxyphenyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide has a molecular weight of 905.32 g/mol, XLogP of 14.55, 20 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-decoxy-5-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-3-methylphenyl]methyl]-4-hydroxyphenyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide is sourced from PubChem (CID 143303161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).