4-(3,5-ditert-butyl-4-hydroxyphenyl)butanehydrazide

C18H30N2O2 — CID 139839199

IUPAC4-(3,5-ditert-butyl-4-hydroxyphenyl)butanehydrazide
SMILESCC(C)(C)c1cc(CCCC(=O)NN)cc(C(C)(C)C)c1O
InChIInChI=1S/C18H30N2O2/c1-17(2,3)13-10-12(8-7-9-15(21)20-19)11-14(16(13)22)18(4,5)6/h10-11,22H,7-9,19H2,1-6H3,(H,20,21)
InChIKeySKYCBOZYMSXPJN-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.30
Rot. Bonds4

About 4-(3,5-ditert-butyl-4-hydroxyphenyl)butanehydrazide

4-(3,5-ditert-butyl-4-hydroxyphenyl)butanehydrazide (PubChem CID 139839199) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 4-(3,5-ditert-butyl-4-hydroxyphenyl)butanehydrazide.

Molecular Properties

Compound Name4-(3,5-ditert-butyl-4-hydroxyphenyl)butanehydrazide
PubChem CID139839199
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name4-(3,5-ditert-butyl-4-hydroxyphenyl)butanehydrazide
SMILESCC(C)(C)c1cc(CCCC(=O)NN)cc(C(C)(C)C)c1O
InChIInChI=1S/C18H30N2O2/c1-17(2,3)13-10-12(8-7-9-15(21)20-19)11-14(16(13)22)18(4,5)6/h10-11,22H,7-9,19H2,1-6H3,(H,20,21)
InChIKeySKYCBOZYMSXPJN-UHFFFAOYSA-N
XLogP3.30
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

10-N-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]decanedihydrazide
CID 87705339
N-(3,5-ditert-butyl-4-hydroxyphenyl)-10-hydrazinyl-10-oxodecanamide
CID 19902400
[3-[4-(3,5-ditert-butyl-4-hydroxyphenyl)butanoyloxy]-2,2-bis[4-(3,5-ditert-butyl-4-hydroxyphenyl)butanoyloxymethyl]propyl] 4-(3,5-ditert-butyl-4-hydroxyphenyl)butanoate
CID 19968743
N-[4-(3,5-ditert-butyl-4-hydroxyphenyl)butyl]-2-hydrazinyl-2-oxoacetamide
CID 21277505
N-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-2-hydrazinyl-2-oxoacetamide
CID 21277501
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[8-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]octyl]propanamide
CID 23337168
3-(3,5-ditert-butyl-4-hydroxyphenyl)propyl 3-[[3-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propoxy]-3-oxopropyl]sulfanylmethylsulfanyl]propanoate
CID 14573012
[2,2-bis[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxymethyl]-3-methoxypropyl] 4-(3,5-ditert-butyl-4-hydroxyphenyl)butanoate
CID 89069906
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methylpropanamide;propane
CID 142558013
ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 159165409
3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 3810668
4-(4-aminobutyl)-2,6-ditert-butylphenol
CID 10516679

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-ditert-butyl-4-hydroxyphenyl)butanehydrazide?
The IUPAC name of 4-(3,5-ditert-butyl-4-hydroxyphenyl)butanehydrazide (CID 139839199) is 4-(3,5-ditert-butyl-4-hydroxyphenyl)butanehydrazide.
What is the SMILES notation for 4-(3,5-ditert-butyl-4-hydroxyphenyl)butanehydrazide?
The canonical SMILES for 4-(3,5-ditert-butyl-4-hydroxyphenyl)butanehydrazide is CC(C)(C)c1cc(CCCC(=O)NN)cc(C(C)(C)C)c1O.
What is the InChIKey of 4-(3,5-ditert-butyl-4-hydroxyphenyl)butanehydrazide?
The InChIKey is SKYCBOZYMSXPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-17(2,3)13-10-12(8-7-9-15(21)20-19)11-14(16(13)22)18(4,5)6/h10-11,22H,7-9,19H2,1-6H3,(H,20,21).
What are the key properties of 4-(3,5-ditert-butyl-4-hydroxyphenyl)butanehydrazide?
4-(3,5-ditert-butyl-4-hydroxyphenyl)butanehydrazide has a molecular weight of 306.45 g/mol, XLogP of 3.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-ditert-butyl-4-hydroxyphenyl)butanehydrazide is sourced from PubChem (CID 139839199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).