N-(2-ethylhexyl)imidazole-1-carboxamide

C12H21N3O — CID 18328496

IUPACN-(2-ethylhexyl)imidazole-1-carboxamide
SMILESCCCCC(CC)CNC(=O)n1ccnc1
InChIInChI=1S/C12H21N3O/c1-3-5-6-11(4-2)9-14-12(16)15-8-7-13-10-15/h7-8,10-11H,3-6,9H2,1-2H3,(H,14,16)
InChIKeyGLTHZLCXTKXRRX-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.66
Rot. Bonds6

About N-(2-ethylhexyl)imidazole-1-carboxamide

N-(2-ethylhexyl)imidazole-1-carboxamide (PubChem CID 18328496) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(2-ethylhexyl)imidazole-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)imidazole-1-carboxamide
PubChem CID18328496
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-(2-ethylhexyl)imidazole-1-carboxamide
SMILESCCCCC(CC)CNC(=O)n1ccnc1
InChIInChI=1S/C12H21N3O/c1-3-5-6-11(4-2)9-14-12(16)15-8-7-13-10-15/h7-8,10-11H,3-6,9H2,1-2H3,(H,14,16)
InChIKeyGLTHZLCXTKXRRX-UHFFFAOYSA-N
XLogP2.66
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)imidazole-1-carboxamide?
The IUPAC name of N-(2-ethylhexyl)imidazole-1-carboxamide (CID 18328496) is N-(2-ethylhexyl)imidazole-1-carboxamide.
What is the SMILES notation for N-(2-ethylhexyl)imidazole-1-carboxamide?
The canonical SMILES for N-(2-ethylhexyl)imidazole-1-carboxamide is CCCCC(CC)CNC(=O)n1ccnc1.
What is the InChIKey of N-(2-ethylhexyl)imidazole-1-carboxamide?
The InChIKey is GLTHZLCXTKXRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-5-6-11(4-2)9-14-12(16)15-8-7-13-10-15/h7-8,10-11H,3-6,9H2,1-2H3,(H,14,16).
What are the key properties of N-(2-ethylhexyl)imidazole-1-carboxamide?
N-(2-ethylhexyl)imidazole-1-carboxamide has a molecular weight of 223.32 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)imidazole-1-carboxamide is sourced from PubChem (CID 18328496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).