N,N-dihexyl-2-(1H-imidazol-5-yl)acetamide

C17H31N3O — CID 23630006

IUPACN,N-dihexyl-2-(1H-imidazol-5-yl)acetamide
SMILESCCCCCCN(CCCCCC)C(=O)Cc1cnc[nH]1
InChIInChI=1S/C17H31N3O/c1-3-5-7-9-11-20(12-10-8-6-4-2)17(21)13-16-14-18-15-19-16/h14-15H,3-13H2,1-2H3,(H,18,19)
InChIKeyBILOFACMIZQGJG-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.94
Rot. Bonds12

About N,N-dihexyl-2-(1H-imidazol-5-yl)acetamide

N,N-dihexyl-2-(1H-imidazol-5-yl)acetamide (PubChem CID 23630006) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is N,N-dihexyl-2-(1H-imidazol-5-yl)acetamide.

Molecular Properties

Compound NameN,N-dihexyl-2-(1H-imidazol-5-yl)acetamide
PubChem CID23630006
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC NameN,N-dihexyl-2-(1H-imidazol-5-yl)acetamide
SMILESCCCCCCN(CCCCCC)C(=O)Cc1cnc[nH]1
InChIInChI=1S/C17H31N3O/c1-3-5-7-9-11-20(12-10-8-6-4-2)17(21)13-16-14-18-15-19-16/h14-15H,3-13H2,1-2H3,(H,18,19)
InChIKeyBILOFACMIZQGJG-UHFFFAOYSA-N
XLogP3.94
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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,N-dihexyl-2-(1H-imidazol-5-yl)acetamide?
The IUPAC name of N,N-dihexyl-2-(1H-imidazol-5-yl)acetamide (CID 23630006) is N,N-dihexyl-2-(1H-imidazol-5-yl)acetamide.
What is the SMILES notation for N,N-dihexyl-2-(1H-imidazol-5-yl)acetamide?
The canonical SMILES for N,N-dihexyl-2-(1H-imidazol-5-yl)acetamide is CCCCCCN(CCCCCC)C(=O)Cc1cnc[nH]1.
What is the InChIKey of N,N-dihexyl-2-(1H-imidazol-5-yl)acetamide?
The InChIKey is BILOFACMIZQGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-3-5-7-9-11-20(12-10-8-6-4-2)17(21)13-16-14-18-15-19-16/h14-15H,3-13H2,1-2H3,(H,18,19).
What are the key properties of N,N-dihexyl-2-(1H-imidazol-5-yl)acetamide?
N,N-dihexyl-2-(1H-imidazol-5-yl)acetamide has a molecular weight of 293.45 g/mol, XLogP of 3.94, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dihexyl-2-(1H-imidazol-5-yl)acetamide is sourced from PubChem (CID 23630006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).