2-(3-octadecylimidazol-1-ium-1-yl)acetamide

C23H44N3O+ — CID 101244526

IUPAC2-(3-octadecylimidazol-1-ium-1-yl)acetamide
SMILESCCCCCCCCCCCCCCCCCCn1cc[n+](CC(N)=O)c1
InChIInChI=1S/C23H43N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-19-20-26(22-25)21-23(24)27/h19-20,22H,2-18,21H2,1H3,(H-,24,27)/p+1
InChIKeyRHUNQSCSQFFAAZ-UHFFFAOYSA-O
MW378.63 g/mol
LogP5.52
Rot. Bonds19

About 2-(3-octadecylimidazol-1-ium-1-yl)acetamide

2-(3-octadecylimidazol-1-ium-1-yl)acetamide (PubChem CID 101244526) has the molecular formula C23H44N3O+ and a molecular weight of 378.63 g/mol. Its IUPAC name is 2-(3-octadecylimidazol-1-ium-1-yl)acetamide.

Molecular Properties

Compound Name2-(3-octadecylimidazol-1-ium-1-yl)acetamide
PubChem CID101244526
Molecular FormulaC23H44N3O+
Molecular Weight378.63 g/mol
Exact Mass378.35
IUPAC Name2-(3-octadecylimidazol-1-ium-1-yl)acetamide
SMILESCCCCCCCCCCCCCCCCCCn1cc[n+](CC(N)=O)c1
InChIInChI=1S/C23H43N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-19-20-26(22-25)21-23(24)27/h19-20,22H,2-18,21H2,1H3,(H-,24,27)/p+1
InChIKeyRHUNQSCSQFFAAZ-UHFFFAOYSA-O
XLogP5.52
TPSA51.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.63
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-(3-octadecylimidazol-1-ium-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-heptadecylimidazol-1-ium-1-yl)acetic acid
CID 132547918
2-(3-undecylimidazol-1-ium-1-yl)acetic acid
CID 132547916
N'-hydroxy-2-(3-pentadecylimidazol-1-ium-1-yl)ethanimidamide chloride
CID 45045359
1-docosyl-3-octadecylimidazol-1-ium
CID 102417147
1-hexadecyl-3-tridecylimidazol-3-ium
CID 87897288
1-dodecyl-3-undecylimidazol-3-ium
CID 87811099
1-tetradecyl-3-[6-(3-tetradecylimidazol-3-ium-1-yl)hexyl]imidazol-1-ium
CID 102416106
1-pentyl-3-tridecylimidazol-1-ium
CID 87806959
1-icosyl-3-nonadecylimidazol-3-ium
CID 146315901
1-octadecyl-3-undecylimidazol-3-ium
CID 87896154
1-propyl-3-undecylimidazol-1-ium
CID 87807956
2-(3-butylimidazol-1-ium-1-yl)acetohydrazide
CID 176507232

Frequently Asked Questions

What is the IUPAC name of 2-(3-octadecylimidazol-1-ium-1-yl)acetamide?
The IUPAC name of 2-(3-octadecylimidazol-1-ium-1-yl)acetamide (CID 101244526) is 2-(3-octadecylimidazol-1-ium-1-yl)acetamide.
What is the SMILES notation for 2-(3-octadecylimidazol-1-ium-1-yl)acetamide?
The canonical SMILES for 2-(3-octadecylimidazol-1-ium-1-yl)acetamide is CCCCCCCCCCCCCCCCCCn1cc[n+](CC(N)=O)c1.
What is the InChIKey of 2-(3-octadecylimidazol-1-ium-1-yl)acetamide?
The InChIKey is RHUNQSCSQFFAAZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H43N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-19-20-26(22-25)21-23(24)27/h19-20,22H,2-18,21H2,1H3,(H-,24,27)/p+1.
What are the key properties of 2-(3-octadecylimidazol-1-ium-1-yl)acetamide?
2-(3-octadecylimidazol-1-ium-1-yl)acetamide has a molecular weight of 378.63 g/mol, XLogP of 5.52, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-octadecylimidazol-1-ium-1-yl)acetamide is sourced from PubChem (CID 101244526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).