N-[2-(1H-imidazol-5-yl)ethyl]-3,7-dimethylocta-2,6-dienamide

C15H23N3O — CID 171776536

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-3,7-dimethylocta-2,6-dienamide
SMILESCC(C)=CCCC(C)=CC(=O)NCCc1cnc[nH]1
InChIInChI=1S/C15H23N3O/c1-12(2)5-4-6-13(3)9-15(19)17-8-7-14-10-16-11-18-14/h5,9-11H,4,6-8H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyPUPOPPLEBUIPSH-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.76
Rot. Bonds7

About N-[2-(1H-imidazol-5-yl)ethyl]-3,7-dimethylocta-2,6-dienamide

N-[2-(1H-imidazol-5-yl)ethyl]-3,7-dimethylocta-2,6-dienamide (PubChem CID 171776536) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-3,7-dimethylocta-2,6-dienamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-3,7-dimethylocta-2,6-dienamide
PubChem CID171776536
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-3,7-dimethylocta-2,6-dienamide
SMILESCC(C)=CCCC(C)=CC(=O)NCCc1cnc[nH]1
InChIInChI=1S/C15H23N3O/c1-12(2)5-4-6-13(3)9-15(19)17-8-7-14-10-16-11-18-14/h5,9-11H,4,6-8H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyPUPOPPLEBUIPSH-UHFFFAOYSA-N
XLogP2.76
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1H-imidazol-5-yl)ethyl]but-2-enamide
CID 77051956
N-[2-(1H-imidazol-5-yl)ethyl]-2-methylprop-2-enamide
CID 54544800
(E)-3-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide
CID 6443545
2-(1H-imidazol-5-yl)ethylurea
CID 10582986
N-[2-(1H-imidazol-5-yl)ethyl]heptanamide
CID 14712098
N-[2-(1H-imidazol-5-yl)ethyl]hexadecanamide
CID 171117218
1-ethyl-3-[2-(1H-imidazol-5-yl)ethyl]urea
CID 65231782
3-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
CID 2574
N-[2-(dimethylamino)ethyl]-3,7,11-trimethyldodeca-2,6,10-trienamide
CID 54133454
5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pentanamide
CID 107910201
(Z)-N-[2-(1H-imidazol-5-yl)ethyl]tetradec-9-enamide
CID 171117216
(Z)-N-[2-(1H-imidazol-5-yl)ethyl]icos-11-enamide
CID 171117231

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-3,7-dimethylocta-2,6-dienamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-3,7-dimethylocta-2,6-dienamide (CID 171776536) is N-[2-(1H-imidazol-5-yl)ethyl]-3,7-dimethylocta-2,6-dienamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-3,7-dimethylocta-2,6-dienamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-3,7-dimethylocta-2,6-dienamide is CC(C)=CCCC(C)=CC(=O)NCCc1cnc[nH]1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-3,7-dimethylocta-2,6-dienamide?
The InChIKey is PUPOPPLEBUIPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12(2)5-4-6-13(3)9-15(19)17-8-7-14-10-16-11-18-14/h5,9-11H,4,6-8H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-3,7-dimethylocta-2,6-dienamide?
N-[2-(1H-imidazol-5-yl)ethyl]-3,7-dimethylocta-2,6-dienamide has a molecular weight of 261.37 g/mol, XLogP of 2.76, 7 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]-3,7-dimethylocta-2,6-dienamide is sourced from PubChem (CID 171776536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).