2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-(carboxymethoxy)phenyl]methyl]-2-methoxyphenyl]methyl]-2-(carboxymethoxy)phenyl]methyl]-2-methoxyphenyl]methyl]phenoxy]acetic acid;2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-[2-(hydroxyamino)-2-oxoethoxy]phenyl]methyl]-2-methoxyphenyl]methyl]-2-[2-(hydroxyamino)-2-oxoethoxy]phenyl]methyl]-2-methoxyphenyl]methyl]phenoxy]-N-hydroxyacetamide

C148H195N3O24 — CID 161280336

IUPAC2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-(carboxymethoxy)phenyl]methyl]-2-methoxyphenyl]methyl]-2-(carboxymethoxy)phenyl]methyl]-2-methoxyphenyl]methyl]phenoxy]acetic acid;2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-[2-(hydroxyamino)-2-oxoethoxy]phenyl]methyl]-2-methoxyphenyl]methyl]-2-[2-(hydroxyamino)-2-oxoethoxy]phenyl]methyl]-2-methoxyphenyl]methyl]phenoxy]-N-hydroxyacetamide
SMILESCOc1ccc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(Cc2cc(C(C)(C)C)cc(Cc3cc(C(C)(C)C)cc(Cc4cc(C(C)(C)C)cc(Cc5cc(C(C)(C)C)ccc5OCC(=O)NO)c4OC)c3OCC(=O)NO)c2OC)c1OCC(=O)NO.COc1ccc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(Cc2cc(C(C)(C)C)cc(Cc3cc(C(C)(C)C)cc(Cc4cc(C(C)(C)C)cc(Cc5cc(C(C)(C)C)ccc5OCC(=O)O)c4OC)c3OCC(=O)O)c2OC)c1OCC(=O)O
InChIInChI=1S/C74H99N3O12.C74H96O12/c1-69(2,3)54-22-24-60(84-19)44(31-54)26-50-37-58(73(13,14)15)38-51(67(50)88-42-63(79)76-82)29-48-35-57(72(10,11)12)36-49(66(48)86-21)30-53-40-59(74(16,17)18)39-52(68(53)89-43-64(80)77-83)28-47-34-56(71(7,8)9)33-46(65(47)85-20)27-45-32-55(70(4,5)6)23-25-61(45)87-41-62(78)75-81;1-69(2,3)54-22-24-60(81-19)44(31-54)26-50-37-58(73(13,14)15)38-51(67(50)85-42-63(77)78)29-48-35-57(72(10,11)12)36-49(66(48)83-21)30-53-40-59(74(16,17)18)39-52(68(53)86-43-64(79)80)28-47-34-56(71(7,8)9)33-46(65(47)82-20)27-45-32-55(70(4,5)6)23-25-61(45)84-41-62(75)76/h22-25,31-40,81-83H,26-30,41-43H2,1-21H3,(H,75,78)(H,76,79)(H,77,80);22-25,31-40H,26-30,41-43H2,1-21H3,(H,75,76)(H,77,78)(H,79,80)
InChIKeyVEZLFJYGHZVDPO-UHFFFAOYSA-N
MW2400.18 g/mol
LogP29.95
Rot. Bonds44

About 2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-(carboxymethoxy)phenyl]methyl]-2-methoxyphenyl]methyl]-2-(carboxymethoxy)phenyl]methyl]-2-methoxyphenyl]methyl]phenoxy]acetic acid;2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-[2-(hydroxyamino)-2-oxoethoxy]phenyl]methyl]-2-methoxyphenyl]methyl]-2-[2-(hydroxyamino)-2-oxoethoxy]phenyl]methyl]-2-methoxyphenyl]methyl]phenoxy]-N-hydroxyacetamide

2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-(carboxymethoxy)phenyl]methyl]-2-methoxyphenyl]methyl]-2-(carboxymethoxy)phenyl]methyl]-2-methoxyphenyl]methyl]phenoxy]acetic acid;2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-[2-(hydroxyamino)-2-oxoethoxy]phenyl]methyl]-2-methoxyphenyl]methyl]-2-[2-(hydroxyamino)-2-oxoethoxy]phenyl]methyl]-2-methoxyphenyl]methyl]phenoxy]-N-hydroxyacetamide (PubChem CID 161280336) has the molecular formula C148H195N3O24 and a molecular weight of 2400.18 g/mol. Its IUPAC name is 2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-(carboxymethoxy)phenyl]methyl]-2-methoxyphenyl]methyl]-2-(carboxymethoxy)phenyl]methyl]-2-methoxyphenyl]methyl]phenoxy]acetic acid;2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-[2-(hydroxyamino)-2-oxoethoxy]phenyl]methyl]-2-methoxyphenyl]methyl]-2-[2-(hydroxyamino)-2-oxoethoxy]phenyl]methyl]-2-methoxyphenyl]methyl]phenoxy]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-(carboxymethoxy)phenyl]methyl]-2-methoxyphenyl]methyl]-2-(carboxymethoxy)phenyl]methyl]-2-methoxyphenyl]methyl]phenoxy]acetic acid;2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-[2-(hydroxyamino)-2-oxoethoxy]phenyl]methyl]-2-methoxyphenyl]methyl]-2-[2-(hydroxyamino)-2-oxoethoxy]phenyl]methyl]-2-methoxyphenyl]methyl]phenoxy]-N-hydroxyacetamide
PubChem CID161280336
Molecular FormulaC148H195N3O24
Molecular Weight2400.18 g/mol
Exact Mass2398.41
IUPAC Name2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-(carboxymethoxy)phenyl]methyl]-2-methoxyphenyl]methyl]-2-(carboxymethoxy)phenyl]methyl]-2-methoxyphenyl]methyl]phenoxy]acetic acid;2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-[2-(hydroxyamino)-2-oxoethoxy]phenyl]methyl]-2-methoxyphenyl]methyl]-2-[2-(hydroxyamino)-2-oxoethoxy]phenyl]methyl]-2-methoxyphenyl]methyl]phenoxy]-N-hydroxyacetamide
SMILESCOc1ccc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(Cc2cc(C(C)(C)C)cc(Cc3cc(C(C)(C)C)cc(Cc4cc(C(C)(C)C)cc(Cc5cc(C(C)(C)C)ccc5OCC(=O)NO)c4OC)c3OCC(=O)NO)c2OC)c1OCC(=O)NO.COc1ccc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(Cc2cc(C(C)(C)C)cc(Cc3cc(C(C)(C)C)cc(Cc4cc(C(C)(C)C)cc(Cc5cc(C(C)(C)C)ccc5OCC(=O)O)c4OC)c3OCC(=O)O)c2OC)c1OCC(=O)O
InChIInChI=1S/C74H99N3O12.C74H96O12/c1-69(2,3)54-22-24-60(84-19)44(31-54)26-50-37-58(73(13,14)15)38-51(67(50)88-42-63(79)76-82)29-48-35-57(72(10,11)12)36-49(66(48)86-21)30-53-40-59(74(16,17)18)39-52(68(53)89-43-64(80)77-83)28-47-34-56(71(7,8)9)33-46(65(47)85-20)27-45-32-55(70(4,5)6)23-25-61(45)87-41-62(78)75-81;1-69(2,3)54-22-24-60(81-19)44(31-54)26-50-37-58(73(13,14)15)38-51(67(50)85-42-63(77)78)29-48-35-57(72(10,11)12)36-49(66(48)83-21)30-53-40-59(74(16,17)18)39-52(68(53)86-43-64(79)80)28-47-34-56(71(7,8)9)33-46(65(47)82-20)27-45-32-55(70(4,5)6)23-25-61(45)84-41-62(75)76/h22-25,31-40,81-83H,26-30,41-43H2,1-21H3,(H,75,78)(H,76,79)(H,77,80);22-25,31-40H,26-30,41-43H2,1-21H3,(H,75,76)(H,77,78)(H,79,80)
InChIKeyVEZLFJYGHZVDPO-UHFFFAOYSA-N
XLogP29.95
TPSA370.65 Ų
H-Bond Donors9
H-Bond Acceptors21
Rotatable Bonds44
Heavy Atoms175
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002400.18
LogP ≤ 529.95
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-(carboxymethoxy)phenyl]methyl]-2-methoxyphenyl]methyl]-2-(carboxymethoxy)phenyl]methyl]-2-methoxyphenyl]methyl]phenoxy]acetic acid;2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-[2-(hydroxyamino)-2-oxoethoxy]phenyl]methyl]-2-methoxyphenyl]methyl]-2-[2-(hydroxyamino)-2-oxoethoxy]phenyl]methyl]-2-methoxyphenyl]methyl]phenoxy]-N-hydroxyacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-(carboxymethoxy)phenyl]methyl]-2-methoxyphenyl]methyl]-2-(carboxymethoxy)phenyl]methyl]-2-methoxyphenyl]methyl]phenoxy]acetic acid;2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-[2-(hydroxyamino)-2-oxoethoxy]phenyl]methyl]-2-methoxyphenyl]methyl]-2-[2-(hydroxyamino)-2-oxoethoxy]phenyl]methyl]-2-methoxyphenyl]methyl]phenoxy]-N-hydroxyacetamide?
The IUPAC name of 2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-(carboxymethoxy)phenyl]methyl]-2-methoxyphenyl]methyl]-2-(carboxymethoxy)phenyl]methyl]-2-methoxyphenyl]methyl]phenoxy]acetic acid;2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-[2-(hydroxyamino)-2-oxoethoxy]phenyl]methyl]-2-methoxyphenyl]methyl]-2-[2-(hydroxyamino)-2-oxoethoxy]phenyl]methyl]-2-methoxyphenyl]methyl]phenoxy]-N-hydroxyacetamide (CID 161280336) is 2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-(carboxymethoxy)phenyl]methyl]-2-methoxyphenyl]methyl]-2-(carboxymethoxy)phenyl]methyl]-2-methoxyphenyl]methyl]phenoxy]acetic acid;2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-[2-(hydroxyamino)-2-oxoethoxy]phenyl]methyl]-2-methoxyphenyl]methyl]-2-[2-(hydroxyamino)-2-oxoethoxy]phenyl]methyl]-2-methoxyphenyl]methyl]phenoxy]-N-hydroxyacetamide.
What is the SMILES notation for 2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-(carboxymethoxy)phenyl]methyl]-2-methoxyphenyl]methyl]-2-(carboxymethoxy)phenyl]methyl]-2-methoxyphenyl]methyl]phenoxy]acetic acid;2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-[2-(hydroxyamino)-2-oxoethoxy]phenyl]methyl]-2-methoxyphenyl]methyl]-2-[2-(hydroxyamino)-2-oxoethoxy]phenyl]methyl]-2-methoxyphenyl]methyl]phenoxy]-N-hydroxyacetamide?
The canonical SMILES for 2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-(carboxymethoxy)phenyl]methyl]-2-methoxyphenyl]methyl]-2-(carboxymethoxy)phenyl]methyl]-2-methoxyphenyl]methyl]phenoxy]acetic acid;2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-[2-(hydroxyamino)-2-oxoethoxy]phenyl]methyl]-2-methoxyphenyl]methyl]-2-[2-(hydroxyamino)-2-oxoethoxy]phenyl]methyl]-2-methoxyphenyl]methyl]phenoxy]-N-hydroxyacetamide is COc1ccc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(Cc2cc(C(C)(C)C)cc(Cc3cc(C(C)(C)C)cc(Cc4cc(C(C)(C)C)cc(Cc5cc(C(C)(C)C)ccc5OCC(=O)NO)c4OC)c3OCC(=O)NO)c2OC)c1OCC(=O)NO.COc1ccc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(Cc2cc(C(C)(C)C)cc(Cc3cc(C(C)(C)C)cc(Cc4cc(C(C)(C)C)cc(Cc5cc(C(C)(C)C)ccc5OCC(=O)O)c4OC)c3OCC(=O)O)c2OC)c1OCC(=O)O.
What is the InChIKey of 2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-(carboxymethoxy)phenyl]methyl]-2-methoxyphenyl]methyl]-2-(carboxymethoxy)phenyl]methyl]-2-methoxyphenyl]methyl]phenoxy]acetic acid;2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-[2-(hydroxyamino)-2-oxoethoxy]phenyl]methyl]-2-methoxyphenyl]methyl]-2-[2-(hydroxyamino)-2-oxoethoxy]phenyl]methyl]-2-methoxyphenyl]methyl]phenoxy]-N-hydroxyacetamide?
The InChIKey is VEZLFJYGHZVDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H99N3O12.C74H96O12/c1-69(2,3)54-22-24-60(84-19)44(31-54)26-50-37-58(73(13,14)15)38-51(67(50)88-42-63(79)76-82)29-48-35-57(72(10,11)12)36-49(66(48)86-21)30-53-40-59(74(16,17)18)39-52(68(53)89-43-64(80)77-83)28-47-34-56(71(7,8)9)33-46(65(47)85-20)27-45-32-55(70(4,5)6)23-25-61(45)87-41-62(78)75-81;1-69(2,3)54-22-24-60(81-19)44(31-54)26-50-37-58(73(13,14)15)38-51(67(50)85-42-63(77)78)29-48-35-57(72(10,11)12)36-49(66(48)83-21)30-53-40-59(74(16,17)18)39-52(68(53)86-43-64(79)80)28-47-34-56(71(7,8)9)33-46(65(47)82-20)27-45-32-55(70(4,5)6)23-25-61(45)84-41-62(75)76/h22-25,31-40,81-83H,26-30,41-43H2,1-21H3,(H,75,78)(H,76,79)(H,77,80);22-25,31-40H,26-30,41-43H2,1-21H3,(H,75,76)(H,77,78)(H,79,80).
What are the key properties of 2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-(carboxymethoxy)phenyl]methyl]-2-methoxyphenyl]methyl]-2-(carboxymethoxy)phenyl]methyl]-2-methoxyphenyl]methyl]phenoxy]acetic acid;2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-[2-(hydroxyamino)-2-oxoethoxy]phenyl]methyl]-2-methoxyphenyl]methyl]-2-[2-(hydroxyamino)-2-oxoethoxy]phenyl]methyl]-2-methoxyphenyl]methyl]phenoxy]-N-hydroxyacetamide?
2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-(carboxymethoxy)phenyl]methyl]-2-methoxyphenyl]methyl]-2-(carboxymethoxy)phenyl]methyl]-2-methoxyphenyl]methyl]phenoxy]acetic acid;2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-[2-(hydroxyamino)-2-oxoethoxy]phenyl]methyl]-2-methoxyphenyl]methyl]-2-[2-(hydroxyamino)-2-oxoethoxy]phenyl]methyl]-2-methoxyphenyl]methyl]phenoxy]-N-hydroxyacetamide has a molecular weight of 2400.18 g/mol, XLogP of 29.95, 44 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-(carboxymethoxy)phenyl]methyl]-2-methoxyphenyl]methyl]-2-(carboxymethoxy)phenyl]methyl]-2-methoxyphenyl]methyl]phenoxy]acetic acid;2-[4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[[5-tert-butyl-3-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-[2-(hydroxyamino)-2-oxoethoxy]phenyl]methyl]-2-methoxyphenyl]methyl]-2-[2-(hydroxyamino)-2-oxoethoxy]phenyl]methyl]-2-methoxyphenyl]methyl]phenoxy]-N-hydroxyacetamide is sourced from PubChem (CID 161280336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).