(Z)-N-[2-(1H-imidazol-5-yl)ethyl]icos-11-enamide

C25H45N3O — CID 171117231

IUPAC(Z)-N-[2-(1H-imidazol-5-yl)ethyl]icos-11-enamide
SMILESCCCCCCCC/C=C\CCCCCCCCCC(=O)NCCc1cnc[nH]1
InChIInChI=1S/C25H45N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(29)27-21-20-24-22-26-23-28-24/h9-10,22-23H,2-8,11-21H2,1H3,(H,26,28)(H,27,29)/b10-9-
InChIKeyRUBHWRWDEBRUIM-KTKRTIGZSA-N
MW403.66 g/mol
LogP6.89
Rot. Bonds20

About (Z)-N-[2-(1H-imidazol-5-yl)ethyl]icos-11-enamide

(Z)-N-[2-(1H-imidazol-5-yl)ethyl]icos-11-enamide (PubChem CID 171117231) has the molecular formula C25H45N3O and a molecular weight of 403.66 g/mol. Its IUPAC name is (Z)-N-[2-(1H-imidazol-5-yl)ethyl]icos-11-enamide.

Molecular Properties

Compound Name(Z)-N-[2-(1H-imidazol-5-yl)ethyl]icos-11-enamide
PubChem CID171117231
Molecular FormulaC25H45N3O
Molecular Weight403.66 g/mol
Exact Mass403.36
IUPAC Name(Z)-N-[2-(1H-imidazol-5-yl)ethyl]icos-11-enamide
SMILESCCCCCCCC/C=C\CCCCCCCCCC(=O)NCCc1cnc[nH]1
InChIInChI=1S/C25H45N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(29)27-21-20-24-22-26-23-28-24/h9-10,22-23H,2-8,11-21H2,1H3,(H,26,28)(H,27,29)/b10-9-
InChIKeyRUBHWRWDEBRUIM-KTKRTIGZSA-N
XLogP6.89
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.66
LogP ≤ 56.89
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

(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
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
N-[3-(1H-imidazol-5-yl)-1-[[(E)-octadec-9-enyl]amino]-1-oxopropan-2-yl]octadecanamide
CID 59866761
5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pentanamide
CID 107910201
(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
3-[2-(1H-imidazol-5-yl)ethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide
CID 58105703
(2R)-3-(1H-imidazol-5-yl)-2-[[(Z)-octadec-9-enoyl]amino]propanoic acid
CID 135239989
(2S)-2-[[(Z)-icos-11-enoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 171116846

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2-(1H-imidazol-5-yl)ethyl]icos-11-enamide?
The IUPAC name of (Z)-N-[2-(1H-imidazol-5-yl)ethyl]icos-11-enamide (CID 171117231) is (Z)-N-[2-(1H-imidazol-5-yl)ethyl]icos-11-enamide.
What is the SMILES notation for (Z)-N-[2-(1H-imidazol-5-yl)ethyl]icos-11-enamide?
The canonical SMILES for (Z)-N-[2-(1H-imidazol-5-yl)ethyl]icos-11-enamide is CCCCCCCC/C=C\CCCCCCCCCC(=O)NCCc1cnc[nH]1.
What is the InChIKey of (Z)-N-[2-(1H-imidazol-5-yl)ethyl]icos-11-enamide?
The InChIKey is RUBHWRWDEBRUIM-KTKRTIGZSA-N. The full InChI is InChI=1S/C25H45N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(29)27-21-20-24-22-26-23-28-24/h9-10,22-23H,2-8,11-21H2,1H3,(H,26,28)(H,27,29)/b10-9-.
What are the key properties of (Z)-N-[2-(1H-imidazol-5-yl)ethyl]icos-11-enamide?
(Z)-N-[2-(1H-imidazol-5-yl)ethyl]icos-11-enamide has a molecular weight of 403.66 g/mol, XLogP of 6.89, 20 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]icos-11-enamide is sourced from PubChem (CID 171117231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).