3,5-ditert-butyl-N'-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]-4-hydroxybenzohydrazide

C32H48N2O4 — CID 57081345

IUPAC3,5-ditert-butyl-N'-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]-4-hydroxybenzohydrazide
SMILESCC(C(=O)NNC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C32H48N2O4/c1-18(19-14-21(29(2,3)4)25(35)22(15-19)30(5,6)7)27(37)33-34-28(38)20-16-23(31(8,9)10)26(36)24(17-20)32(11,12)13/h14-18,35-36H,1-13H3,(H,33,37)(H,34,38)
InChIKeyVIEUYRDGUMNGIL-UHFFFAOYSA-N
MW524.75 g/mol
LogP6.85
Rot. Bonds3

About 3,5-ditert-butyl-N'-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]-4-hydroxybenzohydrazide

3,5-ditert-butyl-N'-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]-4-hydroxybenzohydrazide (PubChem CID 57081345) has the molecular formula C32H48N2O4 and a molecular weight of 524.75 g/mol. Its IUPAC name is 3,5-ditert-butyl-N'-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]-4-hydroxybenzohydrazide.

Molecular Properties

Compound Name3,5-ditert-butyl-N'-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]-4-hydroxybenzohydrazide
PubChem CID57081345
Molecular FormulaC32H48N2O4
Molecular Weight524.75 g/mol
Exact Mass524.36
IUPAC Name3,5-ditert-butyl-N'-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]-4-hydroxybenzohydrazide
SMILESCC(C(=O)NNC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C32H48N2O4/c1-18(19-14-21(29(2,3)4)25(35)22(15-19)30(5,6)7)27(37)33-34-28(38)20-16-23(31(8,9)10)26(36)24(17-20)32(11,12)13/h14-18,35-36H,1-13H3,(H,33,37)(H,34,38)
InChIKeyVIEUYRDGUMNGIL-UHFFFAOYSA-N
XLogP6.85
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.75
LogP ≤ 56.85
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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Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-N'-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]-4-hydroxybenzohydrazide?
The IUPAC name of 3,5-ditert-butyl-N'-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]-4-hydroxybenzohydrazide (CID 57081345) is 3,5-ditert-butyl-N'-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]-4-hydroxybenzohydrazide.
What is the SMILES notation for 3,5-ditert-butyl-N'-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]-4-hydroxybenzohydrazide?
The canonical SMILES for 3,5-ditert-butyl-N'-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]-4-hydroxybenzohydrazide is CC(C(=O)NNC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 3,5-ditert-butyl-N'-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]-4-hydroxybenzohydrazide?
The InChIKey is VIEUYRDGUMNGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H48N2O4/c1-18(19-14-21(29(2,3)4)25(35)22(15-19)30(5,6)7)27(37)33-34-28(38)20-16-23(31(8,9)10)26(36)24(17-20)32(11,12)13/h14-18,35-36H,1-13H3,(H,33,37)(H,34,38).
What are the key properties of 3,5-ditert-butyl-N'-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]-4-hydroxybenzohydrazide?
3,5-ditert-butyl-N'-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]-4-hydroxybenzohydrazide has a molecular weight of 524.75 g/mol, XLogP of 6.85, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butyl-N'-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]-4-hydroxybenzohydrazide is sourced from PubChem (CID 57081345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).