N-(2-hydroxyspiro[3.3]heptan-6-yl)hexadecanamide

C23H43NO2 — CID 178135305

IUPACN-(2-hydroxyspiro[3.3]heptan-6-yl)hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NC1CC2(CC(O)C2)C1
InChIInChI=1S/C23H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(26)24-20-16-23(17-20)18-21(25)19-23/h20-21,25H,2-19H2,1H3,(H,24,26)
InChIKeyKEGJOAHYDBAYGW-UHFFFAOYSA-N
MW365.60 g/mol
LogP5.89
Rot. Bonds15

About N-(2-hydroxyspiro[3.3]heptan-6-yl)hexadecanamide

N-(2-hydroxyspiro[3.3]heptan-6-yl)hexadecanamide (PubChem CID 178135305) has the molecular formula C23H43NO2 and a molecular weight of 365.60 g/mol. Its IUPAC name is N-(2-hydroxyspiro[3.3]heptan-6-yl)hexadecanamide.

Molecular Properties

Compound NameN-(2-hydroxyspiro[3.3]heptan-6-yl)hexadecanamide
PubChem CID178135305
Molecular FormulaC23H43NO2
Molecular Weight365.60 g/mol
Exact Mass365.33
IUPAC NameN-(2-hydroxyspiro[3.3]heptan-6-yl)hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NC1CC2(CC(O)C2)C1
InChIInChI=1S/C23H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(26)24-20-16-23(17-20)18-21(25)19-23/h20-21,25H,2-19H2,1H3,(H,24,26)
InChIKeyKEGJOAHYDBAYGW-UHFFFAOYSA-N
XLogP5.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.60
LogP ≤ 55.89
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

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CID 61380713
CID 101170549
CID 101170549
CID 153419566
CID 153419566
N-cyclobutylhexadecanamide
CID 67041463
N-cyclobutylicosanamide
CID 10384249
N-cyclohexyltetradecanamide
CID 10244853
N-cycloheptylnonanamide
CID 5045141
N-(7-methyl-7-azaspiro[3.5]nonan-2-yl)pentanamide
CID 176954039
N-(3-methylcyclopentyl)dodecanamide
CID 114549665
N-(1-oxidoazetidin-1-ium-3-yl)heptanamide
CID 90428089
N-(4-oxocyclohexyl)octanamide
CID 43652747
N-[(3S)-pyrrolidin-3-yl]decanamide
CID 79688087

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyspiro[3.3]heptan-6-yl)hexadecanamide?
The IUPAC name of N-(2-hydroxyspiro[3.3]heptan-6-yl)hexadecanamide (CID 178135305) is N-(2-hydroxyspiro[3.3]heptan-6-yl)hexadecanamide.
What is the SMILES notation for N-(2-hydroxyspiro[3.3]heptan-6-yl)hexadecanamide?
The canonical SMILES for N-(2-hydroxyspiro[3.3]heptan-6-yl)hexadecanamide is CCCCCCCCCCCCCCCC(=O)NC1CC2(CC(O)C2)C1.
What is the InChIKey of N-(2-hydroxyspiro[3.3]heptan-6-yl)hexadecanamide?
The InChIKey is KEGJOAHYDBAYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(26)24-20-16-23(17-20)18-21(25)19-23/h20-21,25H,2-19H2,1H3,(H,24,26).
What are the key properties of N-(2-hydroxyspiro[3.3]heptan-6-yl)hexadecanamide?
N-(2-hydroxyspiro[3.3]heptan-6-yl)hexadecanamide has a molecular weight of 365.60 g/mol, XLogP of 5.89, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyspiro[3.3]heptan-6-yl)hexadecanamide is sourced from PubChem (CID 178135305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).