3-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propylamino)propanamide

C12H22N4O — CID 55064837

IUPAC3-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propylamino)propanamide
SMILESCCCNC(C)(Cn1cnc(C)c1C)C(N)=O
InChIInChI=1S/C12H22N4O/c1-5-6-15-12(4,11(13)17)7-16-8-14-9(2)10(16)3/h8,15H,5-7H2,1-4H3,(H2,13,17)
InChIKeyMOUZOXDAYGKYRP-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.74
Rot. Bonds6

About 3-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propylamino)propanamide

3-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propylamino)propanamide (PubChem CID 55064837) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propylamino)propanamide.

Molecular Properties

Compound Name3-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propylamino)propanamide
PubChem CID55064837
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name3-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propylamino)propanamide
SMILESCCCNC(C)(Cn1cnc(C)c1C)C(N)=O
InChIInChI=1S/C12H22N4O/c1-5-6-15-12(4,11(13)17)7-16-8-14-9(2)10(16)3/h8,15H,5-7H2,1-4H3,(H2,13,17)
InChIKeyMOUZOXDAYGKYRP-UHFFFAOYSA-N
XLogP0.74
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propylamino)propanamide?
The IUPAC name of 3-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propylamino)propanamide (CID 55064837) is 3-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propylamino)propanamide.
What is the SMILES notation for 3-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propylamino)propanamide?
The canonical SMILES for 3-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propylamino)propanamide is CCCNC(C)(Cn1cnc(C)c1C)C(N)=O.
What is the InChIKey of 3-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propylamino)propanamide?
The InChIKey is MOUZOXDAYGKYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-5-6-15-12(4,11(13)17)7-16-8-14-9(2)10(16)3/h8,15H,5-7H2,1-4H3,(H2,13,17).
What are the key properties of 3-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propylamino)propanamide?
3-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propylamino)propanamide has a molecular weight of 238.33 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propylamino)propanamide is sourced from PubChem (CID 55064837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).