1-N,3-N,5-N,7-N-tetrakis(4-hydroxyphenyl)-1,1,3,5,7-pentamethylnonane-1,3,5,7-tetracarboxamide

C42H50N4O8 — CID 134463643

IUPAC1-N,3-N,5-N,7-N-tetrakis(4-hydroxyphenyl)-1,1,3,5,7-pentamethylnonane-1,3,5,7-tetracarboxamide
SMILESCCC(C)(CC(C)(CC(C)(CC(C)(C)C(=O)Nc1ccc(O)cc1)C(=O)Nc1ccc(O)cc1)C(=O)Nc1ccc(O)cc1)C(=O)Nc1ccc(O)cc1
InChIInChI=1S/C42H50N4O8/c1-7-40(4,36(52)44-28-10-18-32(48)19-11-28)25-42(6,38(54)46-30-14-22-34(50)23-15-30)26-41(5,37(53)45-29-12-20-33(49)21-13-29)24-39(2,3)35(51)43-27-8-16-31(47)17-9-27/h8-23,47-50H,7,24-26H2,1-6H3,(H,43,51)(H,44,52)(H,45,53)(H,46,54)
InChIKeyFUYFQPFQFNRJAX-UHFFFAOYSA-N
MW738.88 g/mol
LogP7.99
Rot. Bonds15

About 1-N,3-N,5-N,7-N-tetrakis(4-hydroxyphenyl)-1,1,3,5,7-pentamethylnonane-1,3,5,7-tetracarboxamide

1-N,3-N,5-N,7-N-tetrakis(4-hydroxyphenyl)-1,1,3,5,7-pentamethylnonane-1,3,5,7-tetracarboxamide (PubChem CID 134463643) has the molecular formula C42H50N4O8 and a molecular weight of 738.88 g/mol. Its IUPAC name is 1-N,3-N,5-N,7-N-tetrakis(4-hydroxyphenyl)-1,1,3,5,7-pentamethylnonane-1,3,5,7-tetracarboxamide.

Molecular Properties

Compound Name1-N,3-N,5-N,7-N-tetrakis(4-hydroxyphenyl)-1,1,3,5,7-pentamethylnonane-1,3,5,7-tetracarboxamide
PubChem CID134463643
Molecular FormulaC42H50N4O8
Molecular Weight738.88 g/mol
Exact Mass738.36
IUPAC Name1-N,3-N,5-N,7-N-tetrakis(4-hydroxyphenyl)-1,1,3,5,7-pentamethylnonane-1,3,5,7-tetracarboxamide
SMILESCCC(C)(CC(C)(CC(C)(CC(C)(C)C(=O)Nc1ccc(O)cc1)C(=O)Nc1ccc(O)cc1)C(=O)Nc1ccc(O)cc1)C(=O)Nc1ccc(O)cc1
InChIInChI=1S/C42H50N4O8/c1-7-40(4,36(52)44-28-10-18-32(48)19-11-28)25-42(6,38(54)46-30-14-22-34(50)23-15-30)26-41(5,37(53)45-29-12-20-33(49)21-13-29)24-39(2,3)35(51)43-27-8-16-31(47)17-9-27/h8-23,47-50H,7,24-26H2,1-6H3,(H,43,51)(H,44,52)(H,45,53)(H,46,54)
InChIKeyFUYFQPFQFNRJAX-UHFFFAOYSA-N
XLogP7.99
TPSA197.32 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500738.88
LogP ≤ 57.99
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-hexadecamethyl-1-N,3-N,5-N,7-N,9-N,11-N,13-N,15-N,17-N,19-N,21-N,23-N,25-N,27-N,29-N-pentadecakis-phenyltriacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecacarboxamide
CID 88975553
N-(4-hydroxyphenyl)-2,4,4-trimethyl-2-(2-methylbutan-2-yl)hexanamide
CID 70858624
N-(4-chlorophenyl)-2,2-dimethylbutanamide
CID 842553
N-(4-acetamidophenyl)-2-(aminomethyl)-2-methylbutanamide
CID 114290300
2,4-diethyl-N,2,4-trimethyl-N'-(6-methyl-3-pyridinyl)pentanediamide
CID 122647066
[(2S)-3-hydroxy-1-(4-hydroxyanilino)-2-methyl-1-oxopropan-2-yl]carbamic acid
CID 69120648
3-amino-N-(4-hydroxyphenyl)-2,2,3-trimethylbutanamide
CID 65264564
N-(4-acetylphenyl)-2,2,4,4-tetramethylpentanamide
CID 143619432
N-(4-formylphenyl)-2,2-dimethylbutanamide
CID 89484843
N-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]-2,2,4,4-tetramethylpentanamide
CID 134533395
2,2-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]butanamide
CID 177287967
ethane;ethyl-dimethyl-[4-(2,2,4,4-tetramethylpentanoylamino)phenyl]azanium
CID 143837735

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N,5-N,7-N-tetrakis(4-hydroxyphenyl)-1,1,3,5,7-pentamethylnonane-1,3,5,7-tetracarboxamide?
The IUPAC name of 1-N,3-N,5-N,7-N-tetrakis(4-hydroxyphenyl)-1,1,3,5,7-pentamethylnonane-1,3,5,7-tetracarboxamide (CID 134463643) is 1-N,3-N,5-N,7-N-tetrakis(4-hydroxyphenyl)-1,1,3,5,7-pentamethylnonane-1,3,5,7-tetracarboxamide.
What is the SMILES notation for 1-N,3-N,5-N,7-N-tetrakis(4-hydroxyphenyl)-1,1,3,5,7-pentamethylnonane-1,3,5,7-tetracarboxamide?
The canonical SMILES for 1-N,3-N,5-N,7-N-tetrakis(4-hydroxyphenyl)-1,1,3,5,7-pentamethylnonane-1,3,5,7-tetracarboxamide is CCC(C)(CC(C)(CC(C)(CC(C)(C)C(=O)Nc1ccc(O)cc1)C(=O)Nc1ccc(O)cc1)C(=O)Nc1ccc(O)cc1)C(=O)Nc1ccc(O)cc1.
What is the InChIKey of 1-N,3-N,5-N,7-N-tetrakis(4-hydroxyphenyl)-1,1,3,5,7-pentamethylnonane-1,3,5,7-tetracarboxamide?
The InChIKey is FUYFQPFQFNRJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H50N4O8/c1-7-40(4,36(52)44-28-10-18-32(48)19-11-28)25-42(6,38(54)46-30-14-22-34(50)23-15-30)26-41(5,37(53)45-29-12-20-33(49)21-13-29)24-39(2,3)35(51)43-27-8-16-31(47)17-9-27/h8-23,47-50H,7,24-26H2,1-6H3,(H,43,51)(H,44,52)(H,45,53)(H,46,54).
What are the key properties of 1-N,3-N,5-N,7-N-tetrakis(4-hydroxyphenyl)-1,1,3,5,7-pentamethylnonane-1,3,5,7-tetracarboxamide?
1-N,3-N,5-N,7-N-tetrakis(4-hydroxyphenyl)-1,1,3,5,7-pentamethylnonane-1,3,5,7-tetracarboxamide has a molecular weight of 738.88 g/mol, XLogP of 7.99, 15 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N,5-N,7-N-tetrakis(4-hydroxyphenyl)-1,1,3,5,7-pentamethylnonane-1,3,5,7-tetracarboxamide is sourced from PubChem (CID 134463643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).