3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]propanehydrazide

C31H46N2O4 — CID 20728649

IUPAC3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]propanehydrazide
SMILESCc1cc(CCC(=O)NNC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O
InChIInChI=1S/C31H46N2O4/c1-19-15-20(16-22(27(19)36)29(2,3)4)11-13-25(34)32-33-26(35)14-12-21-17-23(30(5,6)7)28(37)24(18-21)31(8,9)10/h15-18,36-37H,11-14H2,1-10H3,(H,32,34)(H,33,35)
InChIKeyAXSFMFIRPVVDDB-UHFFFAOYSA-N
MW510.72 g/mol
LogP6.01
Rot. Bonds6

About 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]propanehydrazide

3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]propanehydrazide (PubChem CID 20728649) has the molecular formula C31H46N2O4 and a molecular weight of 510.72 g/mol. Its IUPAC name is 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]propanehydrazide.

Molecular Properties

Compound Name3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]propanehydrazide
PubChem CID20728649
Molecular FormulaC31H46N2O4
Molecular Weight510.72 g/mol
Exact Mass510.35
IUPAC Name3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]propanehydrazide
SMILESCc1cc(CCC(=O)NNC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O
InChIInChI=1S/C31H46N2O4/c1-19-15-20(16-22(27(19)36)29(2,3)4)11-13-25(34)32-33-26(35)14-12-21-17-23(30(5,6)7)28(37)24(18-21)31(8,9)10/h15-18,36-37H,11-14H2,1-10H3,(H,32,34)(H,33,35)
InChIKeyAXSFMFIRPVVDDB-UHFFFAOYSA-N
XLogP6.01
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.72
LogP ≤ 56.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-acetyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanehydrazide
CID 741717
N'-[3-(5-tert-butyl-8,8-dimethyl-7-oxabicyclo[4.2.0]octa-1(6),2,4-trien-3-yl)propanoyl]-3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanehydrazide
CID 118554575
2-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]-1-N'-methylethanedihydrazide
CID 145389700
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methylpropanamide;propane
CID 142558013
2-[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoylamino]ethyl-dimethylazanium acetate
CID 139775524
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[4-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-3-methylphenyl]-2-methylphenyl]propanamide
CID 59265267
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]phenyl]propanamide
CID 18941460
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[8-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]octyl]propanamide
CID 23337168
2-[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoyloxy]ethyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate;ethene;formaldehyde
CID 158902854
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[(4-hydroxyphenyl)methyl]propanamide
CID 118527259
3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 3810668
2-tert-butyl-4-[9-(3-tert-butyl-4-hydroxy-5-methylphenyl)nonyl]-6-methylphenol
CID 19003409

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]propanehydrazide?
The IUPAC name of 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]propanehydrazide (CID 20728649) is 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]propanehydrazide.
What is the SMILES notation for 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]propanehydrazide?
The canonical SMILES for 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]propanehydrazide is Cc1cc(CCC(=O)NNC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O.
What is the InChIKey of 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]propanehydrazide?
The InChIKey is AXSFMFIRPVVDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H46N2O4/c1-19-15-20(16-22(27(19)36)29(2,3)4)11-13-25(34)32-33-26(35)14-12-21-17-23(30(5,6)7)28(37)24(18-21)31(8,9)10/h15-18,36-37H,11-14H2,1-10H3,(H,32,34)(H,33,35).
What are the key properties of 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]propanehydrazide?
3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]propanehydrazide has a molecular weight of 510.72 g/mol, XLogP of 6.01, 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-hydroxy-5-methylphenyl)-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]propanehydrazide is sourced from PubChem (CID 20728649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).