N-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethyl]dodecanamide

C28H55N3O — CID 3018078

IUPACN-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NCCN1CCN=C1CCCCCCCCCCC
InChIInChI=1S/C28H55N3O/c1-3-5-7-9-11-13-15-17-19-21-27-29-23-25-31(27)26-24-30-28(32)22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3,(H,30,32)
InChIKeyHGHDDUWCTTUOMJ-UHFFFAOYSA-N
MW449.77 g/mol
LogP7.66
Rot. Bonds23

About N-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethyl]dodecanamide

N-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethyl]dodecanamide (PubChem CID 3018078) has the molecular formula C28H55N3O and a molecular weight of 449.77 g/mol. Its IUPAC name is N-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethyl]dodecanamide.

Molecular Properties

Compound NameN-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethyl]dodecanamide
PubChem CID3018078
Molecular FormulaC28H55N3O
Molecular Weight449.77 g/mol
Exact Mass449.43
IUPAC NameN-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NCCN1CCN=C1CCCCCCCCCCC
InChIInChI=1S/C28H55N3O/c1-3-5-7-9-11-13-15-17-19-21-27-29-23-25-31(27)26-24-30-28(32)22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3,(H,30,32)
InChIKeyHGHDDUWCTTUOMJ-UHFFFAOYSA-N
XLogP7.66
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.77
LogP ≤ 57.66
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethyl]dodecanamide?
The IUPAC name of N-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethyl]dodecanamide (CID 3018078) is N-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethyl]dodecanamide.
What is the SMILES notation for N-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethyl]dodecanamide?
The canonical SMILES for N-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethyl]dodecanamide is CCCCCCCCCCCC(=O)NCCN1CCN=C1CCCCCCCCCCC.
What is the InChIKey of N-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethyl]dodecanamide?
The InChIKey is HGHDDUWCTTUOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H55N3O/c1-3-5-7-9-11-13-15-17-19-21-27-29-23-25-31(27)26-24-30-28(32)22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3,(H,30,32).
What are the key properties of N-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethyl]dodecanamide?
N-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethyl]dodecanamide has a molecular weight of 449.77 g/mol, XLogP of 7.66, 23 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethyl]dodecanamide is sourced from PubChem (CID 3018078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).