3-(3-tert-butyl-4-hydroxyphenyl)-N'-[3-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanoyl]-4,4-dimethylpentanehydrazide

C34H52N2O4 — CID 54517850

IUPAC3-(3-tert-butyl-4-hydroxyphenyl)-N'-[3-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanoyl]-4,4-dimethylpentanehydrazide
SMILESCC(C)(C)c1cc(C(CC(=O)NNC(=O)CC(c2ccc(O)c(C(C)(C)C)c2)C(C)(C)C)C(C)(C)C)ccc1O
InChIInChI=1S/C34H52N2O4/c1-31(2,3)23(21-13-15-27(37)25(17-21)33(7,8)9)19-29(39)35-36-30(40)20-24(32(4,5)6)22-14-16-28(38)26(18-22)34(10,11)12/h13-18,23-24,37-38H,19-20H2,1-12H3,(H,35,39)(H,36,40)
InChIKeyYNQPRJHJVBWMFV-UHFFFAOYSA-N
MW552.80 g/mol
LogP7.58
Rot. Bonds6

About 3-(3-tert-butyl-4-hydroxyphenyl)-N'-[3-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanoyl]-4,4-dimethylpentanehydrazide

3-(3-tert-butyl-4-hydroxyphenyl)-N'-[3-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanoyl]-4,4-dimethylpentanehydrazide (PubChem CID 54517850) has the molecular formula C34H52N2O4 and a molecular weight of 552.80 g/mol. Its IUPAC name is 3-(3-tert-butyl-4-hydroxyphenyl)-N'-[3-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanoyl]-4,4-dimethylpentanehydrazide.

Molecular Properties

Compound Name3-(3-tert-butyl-4-hydroxyphenyl)-N'-[3-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanoyl]-4,4-dimethylpentanehydrazide
PubChem CID54517850
Molecular FormulaC34H52N2O4
Molecular Weight552.80 g/mol
Exact Mass552.39
IUPAC Name3-(3-tert-butyl-4-hydroxyphenyl)-N'-[3-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanoyl]-4,4-dimethylpentanehydrazide
SMILESCC(C)(C)c1cc(C(CC(=O)NNC(=O)CC(c2ccc(O)c(C(C)(C)C)c2)C(C)(C)C)C(C)(C)C)ccc1O
InChIInChI=1S/C34H52N2O4/c1-31(2,3)23(21-13-15-27(37)25(17-21)33(7,8)9)19-29(39)35-36-30(40)20-24(32(4,5)6)22-14-16-28(38)26(18-22)34(10,11)12/h13-18,23-24,37-38H,19-20H2,1-12H3,(H,35,39)(H,36,40)
InChIKeyYNQPRJHJVBWMFV-UHFFFAOYSA-N
XLogP7.58
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.80
LogP ≤ 57.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(3-tert-butyl-4-hydroxyphenyl)-N'-[3-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanoyl]-4,4-dimethylpentanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanal
CID 19734901
methyl 4-(3-tert-butyl-4-hydroxyphenyl)-3,4-dihydroxybutanoate
CID 171896182
3-(4-hydroxyphenyl)-4,4-dimethylpentanehydrazide
CID 150728986
2-tert-butyl-4-propan-2-ylphenol
CID 24240
N'-acetyl-2-(3-tert-butyl-4-hydroxyphenyl)propanehydrazide
CID 57160319
ethyl 4-(3-tert-butyl-4-hydroxyphenyl)-3,4-dihydroxybutanoate
CID 171897974
2-tert-butyl-4-[1-(4-hydroxyphenyl)ethyl]phenol
CID 87504919
1-(3-tert-butyl-4-hydroxyphenyl)butane-1,2,4-triol
CID 171872892
3-(4-fluorophenyl)-N,4,4-trimethylpentanamide
CID 82083910
[4-[4,4-bis[3-butyl-4-[3-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanoyl]oxy-5-methylphenyl]butan-2-yl]-2-butyl-6-methylphenyl] 3-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanoate
CID 139753304
[3-hydroxy-2,2-bis(hydroxymethyl)propyl] 2-(3-tert-butyl-4-hydroxyphenyl)propanoate
CID 141353760
3-(3-chlorophenyl)-N,4,4-trimethylpentanamide
CID 82088364

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-4-hydroxyphenyl)-N'-[3-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanoyl]-4,4-dimethylpentanehydrazide?
The IUPAC name of 3-(3-tert-butyl-4-hydroxyphenyl)-N'-[3-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanoyl]-4,4-dimethylpentanehydrazide (CID 54517850) is 3-(3-tert-butyl-4-hydroxyphenyl)-N'-[3-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanoyl]-4,4-dimethylpentanehydrazide.
What is the SMILES notation for 3-(3-tert-butyl-4-hydroxyphenyl)-N'-[3-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanoyl]-4,4-dimethylpentanehydrazide?
The canonical SMILES for 3-(3-tert-butyl-4-hydroxyphenyl)-N'-[3-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanoyl]-4,4-dimethylpentanehydrazide is CC(C)(C)c1cc(C(CC(=O)NNC(=O)CC(c2ccc(O)c(C(C)(C)C)c2)C(C)(C)C)C(C)(C)C)ccc1O.
What is the InChIKey of 3-(3-tert-butyl-4-hydroxyphenyl)-N'-[3-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanoyl]-4,4-dimethylpentanehydrazide?
The InChIKey is YNQPRJHJVBWMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H52N2O4/c1-31(2,3)23(21-13-15-27(37)25(17-21)33(7,8)9)19-29(39)35-36-30(40)20-24(32(4,5)6)22-14-16-28(38)26(18-22)34(10,11)12/h13-18,23-24,37-38H,19-20H2,1-12H3,(H,35,39)(H,36,40).
What are the key properties of 3-(3-tert-butyl-4-hydroxyphenyl)-N'-[3-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanoyl]-4,4-dimethylpentanehydrazide?
3-(3-tert-butyl-4-hydroxyphenyl)-N'-[3-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanoyl]-4,4-dimethylpentanehydrazide has a molecular weight of 552.80 g/mol, XLogP of 7.58, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-4-hydroxyphenyl)-N'-[3-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanoyl]-4,4-dimethylpentanehydrazide is sourced from PubChem (CID 54517850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).