N-(3,5-ditert-butyl-2-hydroxyphenyl)hexanamide

C20H33NO2 — CID 126701347

IUPACN-(3,5-ditert-butyl-2-hydroxyphenyl)hexanamide
SMILESCCCCCC(=O)Nc1cc(C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C20H33NO2/c1-8-9-10-11-17(22)21-16-13-14(19(2,3)4)12-15(18(16)23)20(5,6)7/h12-13,23H,8-11H2,1-7H3,(H,21,22)
InChIKeyCVSXVYGIBCPHGX-UHFFFAOYSA-N
MW319.49 g/mol
LogP5.51
Rot. Bonds5

About N-(3,5-ditert-butyl-2-hydroxyphenyl)hexanamide

N-(3,5-ditert-butyl-2-hydroxyphenyl)hexanamide (PubChem CID 126701347) has the molecular formula C20H33NO2 and a molecular weight of 319.49 g/mol. Its IUPAC name is N-(3,5-ditert-butyl-2-hydroxyphenyl)hexanamide.

Molecular Properties

Compound NameN-(3,5-ditert-butyl-2-hydroxyphenyl)hexanamide
PubChem CID126701347
Molecular FormulaC20H33NO2
Molecular Weight319.49 g/mol
Exact Mass319.25
IUPAC NameN-(3,5-ditert-butyl-2-hydroxyphenyl)hexanamide
SMILESCCCCCC(=O)Nc1cc(C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C20H33NO2/c1-8-9-10-11-17(22)21-16-13-14(19(2,3)4)12-15(18(16)23)20(5,6)7/h12-13,23H,8-11H2,1-7H3,(H,21,22)
InChIKeyCVSXVYGIBCPHGX-UHFFFAOYSA-N
XLogP5.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.49
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-ditert-butyl-4-hydroxyphenyl)octanamide
CID 14988663
N-(5-tert-butyl-2-hydroxyphenyl)tetradecanamide
CID 58819419
N-(5-tert-butyl-2-hydroxyphenyl)pentanamide
CID 29265334
N-(3,5-dichloro-2-hydroxyphenyl)decanamide
CID 107675883
N-(3-tert-butyl-4-hydroxyphenyl)octadecanamide
CID 21290134
N-(3-tert-butyl-4-hydroxyphenyl)nonanamide
CID 21290138
(3,5-ditert-butyl-2-hydroxyphenyl) decanoate
CID 174769108
(3,5-ditert-butyl-2-hydroxyphenyl) dodecanoate
CID 174769524
N-(4-hydroxy-2,3,5-trimethylphenyl)undecanamide
CID 19788174
N-(3,5-dichloro-2-hydroxyphenyl)pentanamide
CID 103891119
N-(4-tert-butylphenyl)dodecanamide
CID 118504435
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)octadecanamide
CID 154397523

Frequently Asked Questions

What is the IUPAC name of N-(3,5-ditert-butyl-2-hydroxyphenyl)hexanamide?
The IUPAC name of N-(3,5-ditert-butyl-2-hydroxyphenyl)hexanamide (CID 126701347) is N-(3,5-ditert-butyl-2-hydroxyphenyl)hexanamide.
What is the SMILES notation for N-(3,5-ditert-butyl-2-hydroxyphenyl)hexanamide?
The canonical SMILES for N-(3,5-ditert-butyl-2-hydroxyphenyl)hexanamide is CCCCCC(=O)Nc1cc(C(C)(C)C)cc(C(C)(C)C)c1O.
What is the InChIKey of N-(3,5-ditert-butyl-2-hydroxyphenyl)hexanamide?
The InChIKey is CVSXVYGIBCPHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO2/c1-8-9-10-11-17(22)21-16-13-14(19(2,3)4)12-15(18(16)23)20(5,6)7/h12-13,23H,8-11H2,1-7H3,(H,21,22).
What are the key properties of N-(3,5-ditert-butyl-2-hydroxyphenyl)hexanamide?
N-(3,5-ditert-butyl-2-hydroxyphenyl)hexanamide has a molecular weight of 319.49 g/mol, XLogP of 5.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-ditert-butyl-2-hydroxyphenyl)hexanamide is sourced from PubChem (CID 126701347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).