(Z)-N-[2-(1H-imidazol-5-yl)ethyl]tetradec-9-enamide

C19H33N3O — CID 171117216

IUPAC(Z)-N-[2-(1H-imidazol-5-yl)ethyl]tetradec-9-enamide
SMILESCCCC/C=C\CCCCCCCC(=O)NCCc1cnc[nH]1
InChIInChI=1S/C19H33N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(23)21-15-14-18-16-20-17-22-18/h5-6,16-17H,2-4,7-15H2,1H3,(H,20,22)(H,21,23)/b6-5-
InChIKeyAINITIYQJOSHCY-WAYWQWQTSA-N
MW319.49 g/mol
LogP4.55
Rot. Bonds14

About (Z)-N-[2-(1H-imidazol-5-yl)ethyl]tetradec-9-enamide

(Z)-N-[2-(1H-imidazol-5-yl)ethyl]tetradec-9-enamide (PubChem CID 171117216) has the molecular formula C19H33N3O and a molecular weight of 319.49 g/mol. Its IUPAC name is (Z)-N-[2-(1H-imidazol-5-yl)ethyl]tetradec-9-enamide.

Molecular Properties

Compound Name(Z)-N-[2-(1H-imidazol-5-yl)ethyl]tetradec-9-enamide
PubChem CID171117216
Molecular FormulaC19H33N3O
Molecular Weight319.49 g/mol
Exact Mass319.26
IUPAC Name(Z)-N-[2-(1H-imidazol-5-yl)ethyl]tetradec-9-enamide
SMILESCCCC/C=C\CCCCCCCC(=O)NCCc1cnc[nH]1
InChIInChI=1S/C19H33N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(23)21-15-14-18-16-20-17-22-18/h5-6,16-17H,2-4,7-15H2,1H3,(H,20,22)(H,21,23)/b6-5-
InChIKeyAINITIYQJOSHCY-WAYWQWQTSA-N
XLogP4.55
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 54.55
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'}

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Related Compounds

(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
N-[2-(1H-imidazol-5-yl)ethyl]heptanamide
CID 14712098
N-[2-(1H-imidazol-5-yl)ethyl]hexadecanamide
CID 171117218
(5Z,8Z,11Z,14Z,17Z)-N-[2-(1H-imidazol-5-yl)ethyl]icosa-5,8,11,14,17-pentaenamide
CID 171117235
6-amino-N-[2-(1H-imidazol-5-yl)ethyl]hexanamide
CID 19065170
5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pentanamide
CID 107910201
N-[3-(1H-imidazol-5-yl)-1-[[(E)-octadec-9-enyl]amino]-1-oxopropan-2-yl]octadecanamide
CID 59866761
(9Z,12Z)-N-[3-(1H-imidazol-5-yl)-1-[[(9Z,12Z)-octadeca-9,12-dienyl]amino]-1-oxopropan-2-yl]octadeca-9,12-dienamide
CID 70937582
(2S)-2-[[(9Z,12Z)-heptadeca-9,12-dienoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 171116841
3-[2-(1H-imidazol-5-yl)ethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide
CID 58105703
3-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
CID 2574

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2-(1H-imidazol-5-yl)ethyl]tetradec-9-enamide?
The IUPAC name of (Z)-N-[2-(1H-imidazol-5-yl)ethyl]tetradec-9-enamide (CID 171117216) is (Z)-N-[2-(1H-imidazol-5-yl)ethyl]tetradec-9-enamide.
What is the SMILES notation for (Z)-N-[2-(1H-imidazol-5-yl)ethyl]tetradec-9-enamide?
The canonical SMILES for (Z)-N-[2-(1H-imidazol-5-yl)ethyl]tetradec-9-enamide is CCCC/C=C\CCCCCCCC(=O)NCCc1cnc[nH]1.
What is the InChIKey of (Z)-N-[2-(1H-imidazol-5-yl)ethyl]tetradec-9-enamide?
The InChIKey is AINITIYQJOSHCY-WAYWQWQTSA-N. The full InChI is InChI=1S/C19H33N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(23)21-15-14-18-16-20-17-22-18/h5-6,16-17H,2-4,7-15H2,1H3,(H,20,22)(H,21,23)/b6-5-.
What are the key properties of (Z)-N-[2-(1H-imidazol-5-yl)ethyl]tetradec-9-enamide?
(Z)-N-[2-(1H-imidazol-5-yl)ethyl]tetradec-9-enamide has a molecular weight of 319.49 g/mol, XLogP of 4.55, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[2-(1H-imidazol-5-yl)ethyl]tetradec-9-enamide is sourced from PubChem (CID 171117216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).