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

C25H51NO2 — CID 87088598

IUPACN-(2-hydroxy-2-methylhexan-3-yl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NC(CCC)C(C)(C)O
InChIInChI=1S/C25H51NO2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-24(27)26-23(21-6-2)25(3,4)28/h23,28H,5-22H2,1-4H3,(H,26,27)
InChIKeyPIKFYJIRQFHJCQ-UHFFFAOYSA-N
MW397.69 g/mol
LogP7.30
Rot. Bonds20

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

N-(2-hydroxy-2-methylhexan-3-yl)octadecanamide (PubChem CID 87088598) has the molecular formula C25H51NO2 and a molecular weight of 397.69 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylhexan-3-yl)octadecanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylhexan-3-yl)octadecanamide
PubChem CID87088598
Molecular FormulaC25H51NO2
Molecular Weight397.69 g/mol
Exact Mass397.39
IUPAC NameN-(2-hydroxy-2-methylhexan-3-yl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NC(CCC)C(C)(C)O
InChIInChI=1S/C25H51NO2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-24(27)26-23(21-6-2)25(3,4)28/h23,28H,5-22H2,1-4H3,(H,26,27)
InChIKeyPIKFYJIRQFHJCQ-UHFFFAOYSA-N
XLogP7.30
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 ≤ 57.30
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

N-(2-amino-2-hydroxypentan-3-yl)hexadecanamide
CID 175534176
N-pentan-2-ylundecanamide
CID 173258559
N-(1-hydroxybutyl)decanamide
CID 87762139
N-(4-amino-4-hydroxyhexan-3-yl)hexadecanamide
CID 175534157
N-octadecan-2-ylhexadecanamide
CID 87600664
N-heptan-2-yldodecanamide
CID 3484810
N-pentan-3-yldocosanamide
CID 123339332
N-(2-hydroxypropan-2-yl)heptanamide
CID 139307065
N-[(Z,2S,3R)-1,3-dihydroxy-3-methyloctadec-4-en-2-yl]dodecanamide
CID 11225695
(2-hydroxy-2-methylheptan-3-yl)carbamic acid
CID 90115591
N-[1-(ethylamino)butyl]dodecanamide
CID 87831104
N-[1-(octanoylamino)propyl]octanamide
CID 175099053

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylhexan-3-yl)octadecanamide?
The IUPAC name of N-(2-hydroxy-2-methylhexan-3-yl)octadecanamide (CID 87088598) is N-(2-hydroxy-2-methylhexan-3-yl)octadecanamide.
What is the SMILES notation for N-(2-hydroxy-2-methylhexan-3-yl)octadecanamide?
The canonical SMILES for N-(2-hydroxy-2-methylhexan-3-yl)octadecanamide is CCCCCCCCCCCCCCCCCC(=O)NC(CCC)C(C)(C)O.
What is the InChIKey of N-(2-hydroxy-2-methylhexan-3-yl)octadecanamide?
The InChIKey is PIKFYJIRQFHJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H51NO2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-24(27)26-23(21-6-2)25(3,4)28/h23,28H,5-22H2,1-4H3,(H,26,27).
What are the key properties of N-(2-hydroxy-2-methylhexan-3-yl)octadecanamide?
N-(2-hydroxy-2-methylhexan-3-yl)octadecanamide has a molecular weight of 397.69 g/mol, XLogP of 7.30, 20 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylhexan-3-yl)octadecanamide is sourced from PubChem (CID 87088598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).