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

C22H37NO2 — CID 14988663

IUPACN-(3,5-ditert-butyl-4-hydroxyphenyl)octanamide
SMILESCCCCCCCC(=O)Nc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C22H37NO2/c1-8-9-10-11-12-13-19(24)23-16-14-17(21(2,3)4)20(25)18(15-16)22(5,6)7/h14-15,25H,8-13H2,1-7H3,(H,23,24)
InChIKeyBVBFUFRNUCYGBH-UHFFFAOYSA-N
MW347.54 g/mol
LogP6.29
Rot. Bonds7

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

N-(3,5-ditert-butyl-4-hydroxyphenyl)octanamide (PubChem CID 14988663) has the molecular formula C22H37NO2 and a molecular weight of 347.54 g/mol. Its IUPAC name is N-(3,5-ditert-butyl-4-hydroxyphenyl)octanamide.

Molecular Properties

Compound NameN-(3,5-ditert-butyl-4-hydroxyphenyl)octanamide
PubChem CID14988663
Molecular FormulaC22H37NO2
Molecular Weight347.54 g/mol
Exact Mass347.28
IUPAC NameN-(3,5-ditert-butyl-4-hydroxyphenyl)octanamide
SMILESCCCCCCCC(=O)Nc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C22H37NO2/c1-8-9-10-11-12-13-19(24)23-16-14-17(21(2,3)4)20(25)18(15-16)22(5,6)7/h14-15,25H,8-13H2,1-7H3,(H,23,24)
InChIKeyBVBFUFRNUCYGBH-UHFFFAOYSA-N
XLogP6.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.54
LogP ≤ 56.29
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-(3,5-ditert-butyl-4-hydroxyphenyl)-10-hydrazinyl-10-oxodecanamide
CID 19902400
N-(3-tert-butyl-4-hydroxyphenyl)octadecanamide
CID 21290134
N-(3-tert-butyl-4-hydroxyphenyl)nonanamide
CID 21290138
5-cyano-N-(3,5-ditert-butyl-4-hydroxyphenyl)pentanamide
CID 15170949
N-(3,5-ditert-butyl-2-hydroxyphenyl)hexanamide
CID 126701347
3,5-bis(dodecanoylamino)benzoic acid
CID 3575091
N-(4-tert-butylphenyl)dodecanamide
CID 118504435
3,5-bis(tridecanoylamino)benzoic acid
CID 142485960
5-(dodecanoylamino)benzene-1,3-dicarboxylic acid
CID 2832516
N-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(2-ethylhexoxy)propanamide
CID 21446651
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-(3,5-dichlorophenyl)nonanamide
CID 3459184

Frequently Asked Questions

What is the IUPAC name of N-(3,5-ditert-butyl-4-hydroxyphenyl)octanamide?
The IUPAC name of N-(3,5-ditert-butyl-4-hydroxyphenyl)octanamide (CID 14988663) is N-(3,5-ditert-butyl-4-hydroxyphenyl)octanamide.
What is the SMILES notation for N-(3,5-ditert-butyl-4-hydroxyphenyl)octanamide?
The canonical SMILES for N-(3,5-ditert-butyl-4-hydroxyphenyl)octanamide is CCCCCCCC(=O)Nc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of N-(3,5-ditert-butyl-4-hydroxyphenyl)octanamide?
The InChIKey is BVBFUFRNUCYGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37NO2/c1-8-9-10-11-12-13-19(24)23-16-14-17(21(2,3)4)20(25)18(15-16)22(5,6)7/h14-15,25H,8-13H2,1-7H3,(H,23,24).
What are the key properties of N-(3,5-ditert-butyl-4-hydroxyphenyl)octanamide?
N-(3,5-ditert-butyl-4-hydroxyphenyl)octanamide has a molecular weight of 347.54 g/mol, XLogP of 6.29, 7 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-4-hydroxyphenyl)octanamide is sourced from PubChem (CID 14988663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).