N-(3-tert-butyl-4-hydroxyphenyl)octadecanamide

C28H49NO2 — CID 21290134

IUPACN-(3-tert-butyl-4-hydroxyphenyl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)Nc1ccc(O)c(C(C)(C)C)c1
InChIInChI=1S/C28H49NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(31)29-24-21-22-26(30)25(23-24)28(2,3)4/h21-23,30H,5-20H2,1-4H3,(H,29,31)
InChIKeyKBPBGPOFIZXCHJ-UHFFFAOYSA-N
MW431.71 g/mol
LogP8.89
Rot. Bonds17

About N-(3-tert-butyl-4-hydroxyphenyl)octadecanamide

N-(3-tert-butyl-4-hydroxyphenyl)octadecanamide (PubChem CID 21290134) has the molecular formula C28H49NO2 and a molecular weight of 431.71 g/mol. Its IUPAC name is N-(3-tert-butyl-4-hydroxyphenyl)octadecanamide.

Molecular Properties

Compound NameN-(3-tert-butyl-4-hydroxyphenyl)octadecanamide
PubChem CID21290134
Molecular FormulaC28H49NO2
Molecular Weight431.71 g/mol
Exact Mass431.38
IUPAC NameN-(3-tert-butyl-4-hydroxyphenyl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)Nc1ccc(O)c(C(C)(C)C)c1
InChIInChI=1S/C28H49NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(31)29-24-21-22-26(30)25(23-24)28(2,3)4/h21-23,30H,5-20H2,1-4H3,(H,29,31)
InChIKeyKBPBGPOFIZXCHJ-UHFFFAOYSA-N
XLogP8.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.71
LogP ≤ 58.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-tert-butyl-4-hydroxyphenyl)nonanamide
CID 21290138
N-(3,5-ditert-butyl-4-hydroxyphenyl)octanamide
CID 14988663
N-(4-hydroxy-3-methylphenyl)tetradecanamide
CID 91054297
N-(3-fluoro-4-hydroxyphenyl)decanamide
CID 65426538
N-(4-tert-butylphenyl)dodecanamide
CID 118504435
N-(3-butyl-4-hydroxyphenyl)tetradecanamide
CID 142641305
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-(5-tert-butyl-2-hydroxyphenyl)tetradecanamide
CID 58819419
N-(3,4-dimethylphenyl)dodecanamide
CID 4067786
N-(3-hydroxyphenyl)nonadecanamide
CID 19039287
N-[2-(3-tert-butyl-4-hydroxyphenoxy)ethyl]tetradecanamide
CID 57162261
N-(4-hydroxyphenyl)-6-(2-octadecanoylhydrazinyl)-6-oxohexanamide
CID 139759322

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-4-hydroxyphenyl)octadecanamide?
The IUPAC name of N-(3-tert-butyl-4-hydroxyphenyl)octadecanamide (CID 21290134) is N-(3-tert-butyl-4-hydroxyphenyl)octadecanamide.
What is the SMILES notation for N-(3-tert-butyl-4-hydroxyphenyl)octadecanamide?
The canonical SMILES for N-(3-tert-butyl-4-hydroxyphenyl)octadecanamide is CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(O)c(C(C)(C)C)c1.
What is the InChIKey of N-(3-tert-butyl-4-hydroxyphenyl)octadecanamide?
The InChIKey is KBPBGPOFIZXCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H49NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(31)29-24-21-22-26(30)25(23-24)28(2,3)4/h21-23,30H,5-20H2,1-4H3,(H,29,31).
What are the key properties of N-(3-tert-butyl-4-hydroxyphenyl)octadecanamide?
N-(3-tert-butyl-4-hydroxyphenyl)octadecanamide has a molecular weight of 431.71 g/mol, XLogP of 8.89, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-4-hydroxyphenyl)octadecanamide is sourced from PubChem (CID 21290134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).