2-ethyl-4-imidazol-1-yl-N-propan-2-ylpentanamide

C13H23N3O — CID 59550300

IUPAC2-ethyl-4-imidazol-1-yl-N-propan-2-ylpentanamide
SMILESCCC(CC(C)n1ccnc1)C(=O)NC(C)C
InChIInChI=1S/C13H23N3O/c1-5-12(13(17)15-10(2)3)8-11(4)16-7-6-14-9-16/h6-7,9-12H,5,8H2,1-4H3,(H,15,17)
InChIKeyALOXLQIJJKGTGI-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.38
Rot. Bonds6

About 2-ethyl-4-imidazol-1-yl-N-propan-2-ylpentanamide

2-ethyl-4-imidazol-1-yl-N-propan-2-ylpentanamide (PubChem CID 59550300) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-ethyl-4-imidazol-1-yl-N-propan-2-ylpentanamide.

Molecular Properties

Compound Name2-ethyl-4-imidazol-1-yl-N-propan-2-ylpentanamide
PubChem CID59550300
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-ethyl-4-imidazol-1-yl-N-propan-2-ylpentanamide
SMILESCCC(CC(C)n1ccnc1)C(=O)NC(C)C
InChIInChI=1S/C13H23N3O/c1-5-12(13(17)15-10(2)3)8-11(4)16-7-6-14-9-16/h6-7,9-12H,5,8H2,1-4H3,(H,15,17)
InChIKeyALOXLQIJJKGTGI-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-imidazol-1-yl-N-propan-2-ylpentanamide?
The IUPAC name of 2-ethyl-4-imidazol-1-yl-N-propan-2-ylpentanamide (CID 59550300) is 2-ethyl-4-imidazol-1-yl-N-propan-2-ylpentanamide.
What is the SMILES notation for 2-ethyl-4-imidazol-1-yl-N-propan-2-ylpentanamide?
The canonical SMILES for 2-ethyl-4-imidazol-1-yl-N-propan-2-ylpentanamide is CCC(CC(C)n1ccnc1)C(=O)NC(C)C.
What is the InChIKey of 2-ethyl-4-imidazol-1-yl-N-propan-2-ylpentanamide?
The InChIKey is ALOXLQIJJKGTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-12(13(17)15-10(2)3)8-11(4)16-7-6-14-9-16/h6-7,9-12H,5,8H2,1-4H3,(H,15,17).
What are the key properties of 2-ethyl-4-imidazol-1-yl-N-propan-2-ylpentanamide?
2-ethyl-4-imidazol-1-yl-N-propan-2-ylpentanamide has a molecular weight of 237.35 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-imidazol-1-yl-N-propan-2-ylpentanamide is sourced from PubChem (CID 59550300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).