N-(3,5-ditert-butyl-4-hydroxyphenyl)-10-hydrazinyl-10-oxodecanamide

C24H41N3O3 — CID 19902400

IUPACN-(3,5-ditert-butyl-4-hydroxyphenyl)-10-hydrazinyl-10-oxodecanamide
SMILESCC(C)(C)c1cc(NC(=O)CCCCCCCCC(=O)NN)cc(C(C)(C)C)c1O
InChIInChI=1S/C24H41N3O3/c1-23(2,3)18-15-17(16-19(22(18)30)24(4,5)6)26-20(28)13-11-9-7-8-10-12-14-21(29)27-25/h15-16,30H,7-14,25H2,1-6H3,(H,26,28)(H,27,29)
InChIKeyLZTJOPCSMGXVRM-UHFFFAOYSA-N
MW419.61 g/mol
LogP5.04
Rot. Bonds10

About N-(3,5-ditert-butyl-4-hydroxyphenyl)-10-hydrazinyl-10-oxodecanamide

N-(3,5-ditert-butyl-4-hydroxyphenyl)-10-hydrazinyl-10-oxodecanamide (PubChem CID 19902400) has the molecular formula C24H41N3O3 and a molecular weight of 419.61 g/mol. Its IUPAC name is N-(3,5-ditert-butyl-4-hydroxyphenyl)-10-hydrazinyl-10-oxodecanamide.

Molecular Properties

Compound NameN-(3,5-ditert-butyl-4-hydroxyphenyl)-10-hydrazinyl-10-oxodecanamide
PubChem CID19902400
Molecular FormulaC24H41N3O3
Molecular Weight419.61 g/mol
Exact Mass419.31
IUPAC NameN-(3,5-ditert-butyl-4-hydroxyphenyl)-10-hydrazinyl-10-oxodecanamide
SMILESCC(C)(C)c1cc(NC(=O)CCCCCCCCC(=O)NN)cc(C(C)(C)C)c1O
InChIInChI=1S/C24H41N3O3/c1-23(2,3)18-15-17(16-19(22(18)30)24(4,5)6)26-20(28)13-11-9-7-8-10-12-14-21(29)27-25/h15-16,30H,7-14,25H2,1-6H3,(H,26,28)(H,27,29)
InChIKeyLZTJOPCSMGXVRM-UHFFFAOYSA-N
XLogP5.04
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.61
LogP ≤ 55.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-(3,5-ditert-butyl-4-hydroxyphenyl)octanamide
CID 14988663
4-(3,5-ditert-butyl-4-hydroxyphenyl)butanehydrazide
CID 139839199
5-cyano-N-(3,5-ditert-butyl-4-hydroxyphenyl)pentanamide
CID 15170949
10-N-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]decanedihydrazide
CID 87705339
N-(3-tert-butyl-4-hydroxyphenyl)octadecanamide
CID 21290134
N-(3-tert-butyl-4-hydroxyphenyl)nonanamide
CID 21290138
4-(3,5-ditert-butyl-4-hydroxyanilino)-2-methylidene-4-oxobutanoic acid
CID 21321063
N-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(2-ethylhexoxy)propanamide
CID 21446651
N-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2-dimethylpropanamide
CID 171977413
1,8-bis(3,5-ditert-butyl-4-hydroxyphenyl)octane-1,8-dione
CID 74763904
N-(3,5-ditert-butyl-2-hydroxyphenyl)hexanamide
CID 126701347
2-(3-tert-butyl-2-hydroxy-5-methylphenyl)acetohydrazide
CID 87214855

Frequently Asked Questions

What is the IUPAC name of N-(3,5-ditert-butyl-4-hydroxyphenyl)-10-hydrazinyl-10-oxodecanamide?
The IUPAC name of N-(3,5-ditert-butyl-4-hydroxyphenyl)-10-hydrazinyl-10-oxodecanamide (CID 19902400) is N-(3,5-ditert-butyl-4-hydroxyphenyl)-10-hydrazinyl-10-oxodecanamide.
What is the SMILES notation for N-(3,5-ditert-butyl-4-hydroxyphenyl)-10-hydrazinyl-10-oxodecanamide?
The canonical SMILES for N-(3,5-ditert-butyl-4-hydroxyphenyl)-10-hydrazinyl-10-oxodecanamide is CC(C)(C)c1cc(NC(=O)CCCCCCCCC(=O)NN)cc(C(C)(C)C)c1O.
What is the InChIKey of N-(3,5-ditert-butyl-4-hydroxyphenyl)-10-hydrazinyl-10-oxodecanamide?
The InChIKey is LZTJOPCSMGXVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N3O3/c1-23(2,3)18-15-17(16-19(22(18)30)24(4,5)6)26-20(28)13-11-9-7-8-10-12-14-21(29)27-25/h15-16,30H,7-14,25H2,1-6H3,(H,26,28)(H,27,29).
What are the key properties of N-(3,5-ditert-butyl-4-hydroxyphenyl)-10-hydrazinyl-10-oxodecanamide?
N-(3,5-ditert-butyl-4-hydroxyphenyl)-10-hydrazinyl-10-oxodecanamide has a molecular weight of 419.61 g/mol, XLogP of 5.04, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-ditert-butyl-4-hydroxyphenyl)-10-hydrazinyl-10-oxodecanamide is sourced from PubChem (CID 19902400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).