2-(2-ethylimidazol-1-yl)-N-pentan-2-ylpropanamide

C13H23N3O — CID 63810997

IUPAC2-(2-ethylimidazol-1-yl)-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)n1ccnc1CC
InChIInChI=1S/C13H23N3O/c1-5-7-10(3)15-13(17)11(4)16-9-8-14-12(16)6-2/h8-11H,5-7H2,1-4H3,(H,15,17)
InChIKeyFDHZKZGZOPFQIX-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.31
Rot. Bonds6

About 2-(2-ethylimidazol-1-yl)-N-pentan-2-ylpropanamide

2-(2-ethylimidazol-1-yl)-N-pentan-2-ylpropanamide (PubChem CID 63810997) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-(2-ethylimidazol-1-yl)-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-(2-ethylimidazol-1-yl)-N-pentan-2-ylpropanamide
PubChem CID63810997
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-(2-ethylimidazol-1-yl)-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)n1ccnc1CC
InChIInChI=1S/C13H23N3O/c1-5-7-10(3)15-13(17)11(4)16-9-8-14-12(16)6-2/h8-11H,5-7H2,1-4H3,(H,15,17)
InChIKeyFDHZKZGZOPFQIX-UHFFFAOYSA-N
XLogP2.31
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylimidazol-1-yl)-N-pentan-2-ylpropanamide?
The IUPAC name of 2-(2-ethylimidazol-1-yl)-N-pentan-2-ylpropanamide (CID 63810997) is 2-(2-ethylimidazol-1-yl)-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-(2-ethylimidazol-1-yl)-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-(2-ethylimidazol-1-yl)-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)n1ccnc1CC.
What is the InChIKey of 2-(2-ethylimidazol-1-yl)-N-pentan-2-ylpropanamide?
The InChIKey is FDHZKZGZOPFQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-7-10(3)15-13(17)11(4)16-9-8-14-12(16)6-2/h8-11H,5-7H2,1-4H3,(H,15,17).
What are the key properties of 2-(2-ethylimidazol-1-yl)-N-pentan-2-ylpropanamide?
2-(2-ethylimidazol-1-yl)-N-pentan-2-ylpropanamide has a molecular weight of 237.35 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylimidazol-1-yl)-N-pentan-2-ylpropanamide is sourced from PubChem (CID 63810997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).