N-[2-(1H-imidazol-5-yl)ethyl]hexadecanamide

C21H39N3O — CID 171117218

IUPACN-[2-(1H-imidazol-5-yl)ethyl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NCCc1cnc[nH]1
InChIInChI=1S/C21H39N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(25)23-17-16-20-18-22-19-24-20/h18-19H,2-17H2,1H3,(H,22,24)(H,23,25)
InChIKeyJYXWODGGKSPMOD-UHFFFAOYSA-N
MW349.56 g/mol
LogP5.55
Rot. Bonds17

About N-[2-(1H-imidazol-5-yl)ethyl]hexadecanamide

N-[2-(1H-imidazol-5-yl)ethyl]hexadecanamide (PubChem CID 171117218) has the molecular formula C21H39N3O and a molecular weight of 349.56 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]hexadecanamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]hexadecanamide
PubChem CID171117218
Molecular FormulaC21H39N3O
Molecular Weight349.56 g/mol
Exact Mass349.31
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NCCc1cnc[nH]1
InChIInChI=1S/C21H39N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(25)23-17-16-20-18-22-19-24-20/h18-19H,2-17H2,1H3,(H,22,24)(H,23,25)
InChIKeyJYXWODGGKSPMOD-UHFFFAOYSA-N
XLogP5.55
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.56
LogP ≤ 55.55
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-(1H-imidazol-5-yl)ethyl]heptanamide
CID 14712098
(Z)-N-[2-(1H-imidazol-5-yl)ethyl]icos-11-enamide
CID 171117231
(9E,12E)-N-[2-(1H-imidazol-5-yl)ethyl]octadeca-9,12-dienamide
CID 171117223
(Z)-N-[2-(1H-imidazol-5-yl)ethyl]tetradec-9-enamide
CID 171117216
6-amino-N-[2-(1H-imidazol-5-yl)ethyl]hexanamide
CID 19065170
5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pentanamide
CID 107910201
3-[2-(1H-imidazol-5-yl)ethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide
CID 58105703
(5Z,8Z,11Z,14Z,17Z)-N-[2-(1H-imidazol-5-yl)ethyl]icosa-5,8,11,14,17-pentaenamide
CID 171117235
3-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
CID 2574
4-(2,5-dimethylpyrrol-1-yl)-N-[2-(1H-imidazol-5-yl)ethyl]butanamide
CID 110205924
N-[(2R)-4-amino-1-[2-(1H-imidazol-5-yl)ethylamino]-4-imino-1-oxobutan-2-yl]octanamide
CID 162387494
N-[3-(1H-imidazol-5-yl)-1-oxo-1-(tetradecylamino)propan-2-yl]tetradecanamide
CID 123905839

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]hexadecanamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]hexadecanamide (CID 171117218) is N-[2-(1H-imidazol-5-yl)ethyl]hexadecanamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]hexadecanamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]hexadecanamide is CCCCCCCCCCCCCCCC(=O)NCCc1cnc[nH]1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]hexadecanamide?
The InChIKey is JYXWODGGKSPMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(25)23-17-16-20-18-22-19-24-20/h18-19H,2-17H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]hexadecanamide?
N-[2-(1H-imidazol-5-yl)ethyl]hexadecanamide has a molecular weight of 349.56 g/mol, XLogP of 5.55, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]hexadecanamide is sourced from PubChem (CID 171117218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).