3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-pentylpropanehydrazide

C22H38N2O2 — CID 139821998

IUPAC3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-pentylpropanehydrazide
SMILESCCCCCN(N)C(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C22H38N2O2/c1-8-9-10-13-24(23)19(25)12-11-16-14-17(21(2,3)4)20(26)18(15-16)22(5,6)7/h14-15,26H,8-13,23H2,1-7H3
InChIKeyJEBXBRUEKPVUGV-UHFFFAOYSA-N
MW362.56 g/mol
LogP4.81
Rot. Bonds7

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

3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-pentylpropanehydrazide (PubChem CID 139821998) has the molecular formula C22H38N2O2 and a molecular weight of 362.56 g/mol. Its IUPAC name is 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-pentylpropanehydrazide.

Molecular Properties

Compound Name3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-pentylpropanehydrazide
PubChem CID139821998
Molecular FormulaC22H38N2O2
Molecular Weight362.56 g/mol
Exact Mass362.29
IUPAC Name3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-pentylpropanehydrazide
SMILESCCCCCN(N)C(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C22H38N2O2/c1-8-9-10-13-24(23)19(25)12-11-16-14-17(21(2,3)4)20(26)18(15-16)22(5,6)7/h14-15,26H,8-13,23H2,1-7H3
InChIKeyJEBXBRUEKPVUGV-UHFFFAOYSA-N
XLogP4.81
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.56
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methane;octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 88503135
3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl octadecanoate
CID 19613985
butyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;methane
CID 160740972
4-butyl-2,6-ditert-butylphenol
CID 158079570
ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 159165409
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-hexylpropanamide
CID 19991674
10-N-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]decanedihydrazide
CID 87705339
ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;phosphane
CID 175291494
N-tert-butyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-hydroxyethyl)propanamide
CID 21199806
2,6-ditert-butyl-4-methylphenol;octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 88606677
3-(5-tert-butyl-4-hydroxy-2,3-dimethylphenyl)-N-methyl-N-tetracosylpropanamide
CID 54302474
2,6-ditert-butyl-4-(3-octoxybut-3-enyl)phenol
CID 58783098

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-pentylpropanehydrazide?
The IUPAC name of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-pentylpropanehydrazide (CID 139821998) is 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-pentylpropanehydrazide.
What is the SMILES notation for 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-pentylpropanehydrazide?
The canonical SMILES for 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-pentylpropanehydrazide is CCCCCN(N)C(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-pentylpropanehydrazide?
The InChIKey is JEBXBRUEKPVUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N2O2/c1-8-9-10-13-24(23)19(25)12-11-16-14-17(21(2,3)4)20(26)18(15-16)22(5,6)7/h14-15,26H,8-13,23H2,1-7H3.
What are the key properties of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-pentylpropanehydrazide?
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-pentylpropanehydrazide has a molecular weight of 362.56 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-pentylpropanehydrazide is sourced from PubChem (CID 139821998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).