N-[(1S,2S,4S)-2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]hexadecanamide

C24H43NO2 — CID 15747865

IUPACN-[(1S,2S,4S)-2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)N[C@@]1(CO)C[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C24H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(27)25-24(20-26)19-21-16-17-22(24)18-21/h16-17,21-22,26H,2-15,18-20H2,1H3,(H,25,27)/t21-,22+,24+/m0/s1
InChIKeyRYYSCTGLELLKIC-WMTXJRDZSA-N
MW377.61 g/mol
LogP5.91
Rot. Bonds16

About N-[(1S,2S,4S)-2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]hexadecanamide

N-[(1S,2S,4S)-2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]hexadecanamide (PubChem CID 15747865) has the molecular formula C24H43NO2 and a molecular weight of 377.61 g/mol. Its IUPAC name is N-[(1S,2S,4S)-2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]hexadecanamide.

Molecular Properties

Compound NameN-[(1S,2S,4S)-2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]hexadecanamide
PubChem CID15747865
Molecular FormulaC24H43NO2
Molecular Weight377.61 g/mol
Exact Mass377.33
IUPAC NameN-[(1S,2S,4S)-2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)N[C@@]1(CO)C[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C24H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(27)25-24(20-26)19-21-16-17-22(24)18-21/h16-17,21-22,26H,2-15,18-20H2,1H3,(H,25,27)/t21-,22+,24+/m0/s1
InChIKeyRYYSCTGLELLKIC-WMTXJRDZSA-N
XLogP5.91
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.61
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(1S,2S,4S)-2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]hexadecanamide with MolForge

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Related Compounds

[2-(heptanoyloxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methyl heptanoate
CID 102393981
N-(1-adamantyl)nonanamide
CID 4685611
N-(1-adamantyl)hexanamide
CID 4687392
N-[1-(hydroxymethyl)cyclobutyl]nonanamide
CID 115878113
N-[1-(hydroxymethyl)cyclopentyl]heptanamide
CID 62518617
N-(2-methyloxiran-2-yl)octadecanamide
CID 141168952
1-(nonanoylamino)cyclohexane-1-carboxylic acid
CID 43350921
1-(nonanoylamino)cycloheptane-1-carboxylic acid
CID 43172633
N-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]octadecanamide
CID 129305066
N-[1-(hydroxymethyl)-4-methylcyclohexyl]decanamide
CID 63404095
1-(hexanoylamino)cycloheptane-1-carboxylic acid
CID 43341577
1-[[(E)-octadec-9-enoyl]amino]cyclohexane-1-carboxylic acid
CID 110188216

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S,4S)-2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]hexadecanamide?
The IUPAC name of N-[(1S,2S,4S)-2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]hexadecanamide (CID 15747865) is N-[(1S,2S,4S)-2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]hexadecanamide.
What is the SMILES notation for N-[(1S,2S,4S)-2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]hexadecanamide?
The canonical SMILES for N-[(1S,2S,4S)-2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]hexadecanamide is CCCCCCCCCCCCCCCC(=O)N[C@@]1(CO)C[C@H]2C=C[C@@H]1C2.
What is the InChIKey of N-[(1S,2S,4S)-2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]hexadecanamide?
The InChIKey is RYYSCTGLELLKIC-WMTXJRDZSA-N. The full InChI is InChI=1S/C24H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(27)25-24(20-26)19-21-16-17-22(24)18-21/h16-17,21-22,26H,2-15,18-20H2,1H3,(H,25,27)/t21-,22+,24+/m0/s1.
What are the key properties of N-[(1S,2S,4S)-2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]hexadecanamide?
N-[(1S,2S,4S)-2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]hexadecanamide has a molecular weight of 377.61 g/mol, XLogP of 5.91, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S,4S)-2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]hexadecanamide is sourced from PubChem (CID 15747865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).