3-(2,4-dimethylimidazol-1-yl)-2-(ethylamino)butanamide

C11H20N4O — CID 165495243

IUPAC3-(2,4-dimethylimidazol-1-yl)-2-(ethylamino)butanamide
SMILESCCNC(C(N)=O)C(C)n1cc(C)nc1C
InChIInChI=1S/C11H20N4O/c1-5-13-10(11(12)16)8(3)15-6-7(2)14-9(15)4/h6,8,10,13H,5H2,1-4H3,(H2,12,16)
InChIKeyLJKRXSMVVPVDRV-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.52
Rot. Bonds5

About 3-(2,4-dimethylimidazol-1-yl)-2-(ethylamino)butanamide

3-(2,4-dimethylimidazol-1-yl)-2-(ethylamino)butanamide (PubChem CID 165495243) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-(2,4-dimethylimidazol-1-yl)-2-(ethylamino)butanamide.

Molecular Properties

Compound Name3-(2,4-dimethylimidazol-1-yl)-2-(ethylamino)butanamide
PubChem CID165495243
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-(2,4-dimethylimidazol-1-yl)-2-(ethylamino)butanamide
SMILESCCNC(C(N)=O)C(C)n1cc(C)nc1C
InChIInChI=1S/C11H20N4O/c1-5-13-10(11(12)16)8(3)15-6-7(2)14-9(15)4/h6,8,10,13H,5H2,1-4H3,(H2,12,16)
InChIKeyLJKRXSMVVPVDRV-UHFFFAOYSA-N
XLogP0.52
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylimidazol-1-yl)-2-(ethylamino)butanamide?
The IUPAC name of 3-(2,4-dimethylimidazol-1-yl)-2-(ethylamino)butanamide (CID 165495243) is 3-(2,4-dimethylimidazol-1-yl)-2-(ethylamino)butanamide.
What is the SMILES notation for 3-(2,4-dimethylimidazol-1-yl)-2-(ethylamino)butanamide?
The canonical SMILES for 3-(2,4-dimethylimidazol-1-yl)-2-(ethylamino)butanamide is CCNC(C(N)=O)C(C)n1cc(C)nc1C.
What is the InChIKey of 3-(2,4-dimethylimidazol-1-yl)-2-(ethylamino)butanamide?
The InChIKey is LJKRXSMVVPVDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-5-13-10(11(12)16)8(3)15-6-7(2)14-9(15)4/h6,8,10,13H,5H2,1-4H3,(H2,12,16).
What are the key properties of 3-(2,4-dimethylimidazol-1-yl)-2-(ethylamino)butanamide?
3-(2,4-dimethylimidazol-1-yl)-2-(ethylamino)butanamide has a molecular weight of 224.31 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylimidazol-1-yl)-2-(ethylamino)butanamide is sourced from PubChem (CID 165495243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).