N'-(3,5-ditert-butyl-4-hydroxyphenyl)propanehydrazide

C17H28N2O2 — CID 57316390

IUPACN'-(3,5-ditert-butyl-4-hydroxyphenyl)propanehydrazide
SMILESCCC(=O)NNc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C17H28N2O2/c1-8-14(20)19-18-11-9-12(16(2,3)4)15(21)13(10-11)17(5,6)7/h9-10,18,21H,8H2,1-7H3,(H,19,20)
InChIKeyQHYRKUFTXBOVBS-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.84
Rot. Bonds3

About N'-(3,5-ditert-butyl-4-hydroxyphenyl)propanehydrazide

N'-(3,5-ditert-butyl-4-hydroxyphenyl)propanehydrazide (PubChem CID 57316390) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N'-(3,5-ditert-butyl-4-hydroxyphenyl)propanehydrazide.

Molecular Properties

Compound NameN'-(3,5-ditert-butyl-4-hydroxyphenyl)propanehydrazide
PubChem CID57316390
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN'-(3,5-ditert-butyl-4-hydroxyphenyl)propanehydrazide
SMILESCCC(=O)NNc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C17H28N2O2/c1-8-14(20)19-18-11-9-12(16(2,3)4)15(21)13(10-11)17(5,6)7/h9-10,18,21H,8H2,1-7H3,(H,19,20)
InChIKeyQHYRKUFTXBOVBS-UHFFFAOYSA-N
XLogP3.84
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(3,5-ditert-butyl-4-hydroxyphenyl)propanehydrazide?
The IUPAC name of N'-(3,5-ditert-butyl-4-hydroxyphenyl)propanehydrazide (CID 57316390) is N'-(3,5-ditert-butyl-4-hydroxyphenyl)propanehydrazide.
What is the SMILES notation for N'-(3,5-ditert-butyl-4-hydroxyphenyl)propanehydrazide?
The canonical SMILES for N'-(3,5-ditert-butyl-4-hydroxyphenyl)propanehydrazide is CCC(=O)NNc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of N'-(3,5-ditert-butyl-4-hydroxyphenyl)propanehydrazide?
The InChIKey is QHYRKUFTXBOVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-8-14(20)19-18-11-9-12(16(2,3)4)15(21)13(10-11)17(5,6)7/h9-10,18,21H,8H2,1-7H3,(H,19,20).
What are the key properties of N'-(3,5-ditert-butyl-4-hydroxyphenyl)propanehydrazide?
N'-(3,5-ditert-butyl-4-hydroxyphenyl)propanehydrazide has a molecular weight of 292.42 g/mol, XLogP of 3.84, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-ditert-butyl-4-hydroxyphenyl)propanehydrazide is sourced from PubChem (CID 57316390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).