N-(6-hydroxy-4,4-dimethylhexyl)docosanamide

C30H61NO2 — CID 20707288

IUPACN-(6-hydroxy-4,4-dimethylhexyl)docosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)NCCCC(C)(C)CCO
InChIInChI=1S/C30H61NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-29(33)31-27-23-25-30(2,3)26-28-32/h32H,4-28H2,1-3H3,(H,31,33)
InChIKeyRNLJJCVQDHTNRK-UHFFFAOYSA-N
MW467.82 g/mol
LogP9.11
Rot. Bonds26

About N-(6-hydroxy-4,4-dimethylhexyl)docosanamide

N-(6-hydroxy-4,4-dimethylhexyl)docosanamide (PubChem CID 20707288) has the molecular formula C30H61NO2 and a molecular weight of 467.82 g/mol. Its IUPAC name is N-(6-hydroxy-4,4-dimethylhexyl)docosanamide.

Molecular Properties

Compound NameN-(6-hydroxy-4,4-dimethylhexyl)docosanamide
PubChem CID20707288
Molecular FormulaC30H61NO2
Molecular Weight467.82 g/mol
Exact Mass467.47
IUPAC NameN-(6-hydroxy-4,4-dimethylhexyl)docosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)NCCCC(C)(C)CCO
InChIInChI=1S/C30H61NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-29(33)31-27-23-25-30(2,3)26-28-32/h32H,4-28H2,1-3H3,(H,31,33)
InChIKeyRNLJJCVQDHTNRK-UHFFFAOYSA-N
XLogP9.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds26
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.82
LogP ≤ 59.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Octadecanamide, 12-hydroxy-N-octadecyl-
CID 109189
7-hydroxy-6,6-dimethylheptanoic acid (6-Hydroxy-5,5-dimethylhexyl)-amide
CID 11493181
(r)-N-propyl-12-hydroxyoctadecanamide
CID 53468279
(r)-N-octadecyl-12-hydroxyoctadecanamide
CID 99116945
N,N'-bis(2-hydroxyethyl)lauramide
CID 129854246
N-dodecyl-12-hydroxyoctadecanamide
CID 175547056
N-[(2S)-4-hydroxy-2-methylbutyl]-2-(1-methylcyclohexyl)acetamide
CID 97241164
Octadecanamide, N-[3-(dimethylamino)propyl]-C-hydroxy-
CID 172577
Hexanoic acid, 6-[(1-oxoneodecyl)amino]-
CID 3086018
Hexanoic acid, 6-[(1-oxoneodecyl)amino]-, compd. with 1-amino-2-propanol (1:1)
CID 85992767
Hexanoic acid, 6-[(1-oxoneodecyl)amino]-, compd. with 2-aminoethanol (1:1)
CID 126843394
12-hydroxy-N-propyloctadecanamide
CID 54058531

Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxy-4,4-dimethylhexyl)docosanamide?
The IUPAC name of N-(6-hydroxy-4,4-dimethylhexyl)docosanamide (CID 20707288) is N-(6-hydroxy-4,4-dimethylhexyl)docosanamide.
What is the SMILES notation for N-(6-hydroxy-4,4-dimethylhexyl)docosanamide?
The canonical SMILES for N-(6-hydroxy-4,4-dimethylhexyl)docosanamide is CCCCCCCCCCCCCCCCCCCCCC(=O)NCCCC(C)(C)CCO.
What is the InChIKey of N-(6-hydroxy-4,4-dimethylhexyl)docosanamide?
The InChIKey is RNLJJCVQDHTNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H61NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-29(33)31-27-23-25-30(2,3)26-28-32/h32H,4-28H2,1-3H3,(H,31,33).
What are the key properties of N-(6-hydroxy-4,4-dimethylhexyl)docosanamide?
N-(6-hydroxy-4,4-dimethylhexyl)docosanamide has a molecular weight of 467.82 g/mol, XLogP of 9.11, 26 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxy-4,4-dimethylhexyl)docosanamide is sourced from PubChem (CID 20707288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).