2-imidazol-1-yl-2-octyldecanamide

C21H39N3O — CID 175292501

IUPAC2-imidazol-1-yl-2-octyldecanamide
SMILESCCCCCCCCC(CCCCCCCC)(C(N)=O)n1ccnc1
InChIInChI=1S/C21H39N3O/c1-3-5-7-9-11-13-15-21(20(22)25,24-18-17-23-19-24)16-14-12-10-8-6-4-2/h17-19H,3-16H2,1-2H3,(H2,22,25)
InChIKeyXEVAHYKQAZVRCU-UHFFFAOYSA-N
MW349.56 g/mol
LogP5.56
Rot. Bonds16

About 2-imidazol-1-yl-2-octyldecanamide

2-imidazol-1-yl-2-octyldecanamide (PubChem CID 175292501) has the molecular formula C21H39N3O and a molecular weight of 349.56 g/mol. Its IUPAC name is 2-imidazol-1-yl-2-octyldecanamide.

Molecular Properties

Compound Name2-imidazol-1-yl-2-octyldecanamide
PubChem CID175292501
Molecular FormulaC21H39N3O
Molecular Weight349.56 g/mol
Exact Mass349.31
IUPAC Name2-imidazol-1-yl-2-octyldecanamide
SMILESCCCCCCCCC(CCCCCCCC)(C(N)=O)n1ccnc1
InChIInChI=1S/C21H39N3O/c1-3-5-7-9-11-13-15-21(20(22)25,24-18-17-23-19-24)16-14-12-10-8-6-4-2/h17-19H,3-16H2,1-2H3,(H2,22,25)
InChIKeyXEVAHYKQAZVRCU-UHFFFAOYSA-N
XLogP5.56
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.56
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 87316839
1-(2-methylundecan-2-yl)imidazole
CID 151900805
(3-imidazol-1-yl-2,2-dimethylheptan-3-yl) carbamate
CID 175520912
1-(2-imidazol-1-ylhexan-2-yl)imidazole
CID 174761890
dodecyl 2-imidazol-1-ylpropanoate
CID 10063901
carbonic acid;1-dodecylimidazole
CID 175596781
1-(4-ethyloctan-4-yl)imidazole
CID 57179751
acetic acid;1-decylimidazole
CID 175546754
imidazol-1-yl tetradecanoate
CID 175546759
imidazol-1-yl heptanoate
CID 175410491
2-icosyl-2-pentyldocosanamide
CID 175538156
2,2-dimethyldecanamide
CID 22596903

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-2-octyldecanamide?
The IUPAC name of 2-imidazol-1-yl-2-octyldecanamide (CID 175292501) is 2-imidazol-1-yl-2-octyldecanamide.
What is the SMILES notation for 2-imidazol-1-yl-2-octyldecanamide?
The canonical SMILES for 2-imidazol-1-yl-2-octyldecanamide is CCCCCCCCC(CCCCCCCC)(C(N)=O)n1ccnc1.
What is the InChIKey of 2-imidazol-1-yl-2-octyldecanamide?
The InChIKey is XEVAHYKQAZVRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N3O/c1-3-5-7-9-11-13-15-21(20(22)25,24-18-17-23-19-24)16-14-12-10-8-6-4-2/h17-19H,3-16H2,1-2H3,(H2,22,25).
What are the key properties of 2-imidazol-1-yl-2-octyldecanamide?
2-imidazol-1-yl-2-octyldecanamide has a molecular weight of 349.56 g/mol, XLogP of 5.56, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-2-octyldecanamide is sourced from PubChem (CID 175292501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).