N-(3-hydroxy-2-methylhexan-3-yl)octadecanamide

C25H51NO2 — CID 18538189

IUPACN-(3-hydroxy-2-methylhexan-3-yl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NC(O)(CCC)C(C)C
InChIInChI=1S/C25H51NO2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)26-25(28,22-6-2)23(3)4/h23,28H,5-22H2,1-4H3,(H,26,27)
InChIKeyFYCGLWNLNUNVCO-UHFFFAOYSA-N
MW397.69 g/mol
LogP7.51
Rot. Bonds20

About N-(3-hydroxy-2-methylhexan-3-yl)octadecanamide

N-(3-hydroxy-2-methylhexan-3-yl)octadecanamide (PubChem CID 18538189) has the molecular formula C25H51NO2 and a molecular weight of 397.69 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylhexan-3-yl)octadecanamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylhexan-3-yl)octadecanamide
PubChem CID18538189
Molecular FormulaC25H51NO2
Molecular Weight397.69 g/mol
Exact Mass397.39
IUPAC NameN-(3-hydroxy-2-methylhexan-3-yl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NC(O)(CCC)C(C)C
InChIInChI=1S/C25H51NO2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)26-25(28,22-6-2)23(3)4/h23,28H,5-22H2,1-4H3,(H,26,27)
InChIKeyFYCGLWNLNUNVCO-UHFFFAOYSA-N
XLogP7.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.69
LogP ≤ 57.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxypropan-2-yl)heptanamide
CID 139307065
N-(1-amino-2,3-dimethylbutan-2-yl)decanamide
CID 115310393
N-(1-amino-2,3-dimethylbutan-2-yl)octanamide
CID 81486540
N-(1-amino-3-hydroxyhexan-3-yl)dodecanamide
CID 87068240
N-(2-amino-3-hydroxy-2-methylhexan-3-yl)octadecanamide
CID 18521143
N-(3-amino-3-ethyl-4-hydroxyheptan-4-yl)tetradecanamide
CID 88726820
N-[1-(hexadecanoylamino)-1-(1-hydroxyethylamino)propyl]hexadecanamide
CID 87067994
N-(1-hydroxy-2-methylpropan-2-yl)dodecanamide
CID 13410459
N-[1,7-diamino-4-(3-aminopropyl)heptan-4-yl]dodecanamide;trihydrochloride
CID 24905581
N-pentan-2-ylundecanamide
CID 173258559
N-(3-methylpentan-3-yl)hexanamide
CID 90883485
N-(2-methylpropanoyl)heptanamide
CID 150179955

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylhexan-3-yl)octadecanamide?
The IUPAC name of N-(3-hydroxy-2-methylhexan-3-yl)octadecanamide (CID 18538189) is N-(3-hydroxy-2-methylhexan-3-yl)octadecanamide.
What is the SMILES notation for N-(3-hydroxy-2-methylhexan-3-yl)octadecanamide?
The canonical SMILES for N-(3-hydroxy-2-methylhexan-3-yl)octadecanamide is CCCCCCCCCCCCCCCCCC(=O)NC(O)(CCC)C(C)C.
What is the InChIKey of N-(3-hydroxy-2-methylhexan-3-yl)octadecanamide?
The InChIKey is FYCGLWNLNUNVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H51NO2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)26-25(28,22-6-2)23(3)4/h23,28H,5-22H2,1-4H3,(H,26,27).
What are the key properties of N-(3-hydroxy-2-methylhexan-3-yl)octadecanamide?
N-(3-hydroxy-2-methylhexan-3-yl)octadecanamide has a molecular weight of 397.69 g/mol, XLogP of 7.51, 20 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylhexan-3-yl)octadecanamide is sourced from PubChem (CID 18538189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).