3-(1,4-dimethylimidazol-2-yl)-N-methylpropanamide;ethane

C13H27N3O — CID 171550592

IUPAC3-(1,4-dimethylimidazol-2-yl)-N-methylpropanamide;ethane
SMILESCC.CC.CNC(=O)CCc1nc(C)cn1C
InChIInChI=1S/C9H15N3O.2C2H6/c1-7-6-12(3)8(11-7)4-5-9(13)10-2;2*1-2/h6H,4-5H2,1-3H3,(H,10,13);2*1-2H3
InChIKeyMUAGUUUISOVNJT-UHFFFAOYSA-N
MW241.38 g/mol
LogP2.46
Rot. Bonds3

About 3-(1,4-dimethylimidazol-2-yl)-N-methylpropanamide;ethane

3-(1,4-dimethylimidazol-2-yl)-N-methylpropanamide;ethane (PubChem CID 171550592) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 3-(1,4-dimethylimidazol-2-yl)-N-methylpropanamide;ethane.

Molecular Properties

Compound Name3-(1,4-dimethylimidazol-2-yl)-N-methylpropanamide;ethane
PubChem CID171550592
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name3-(1,4-dimethylimidazol-2-yl)-N-methylpropanamide;ethane
SMILESCC.CC.CNC(=O)CCc1nc(C)cn1C
InChIInChI=1S/C9H15N3O.2C2H6/c1-7-6-12(3)8(11-7)4-5-9(13)10-2;2*1-2/h6H,4-5H2,1-3H3,(H,10,13);2*1-2H3
InChIKeyMUAGUUUISOVNJT-UHFFFAOYSA-N
XLogP2.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dimethylimidazol-2-yl)-N-methylpropanamide;ethane?
The IUPAC name of 3-(1,4-dimethylimidazol-2-yl)-N-methylpropanamide;ethane (CID 171550592) is 3-(1,4-dimethylimidazol-2-yl)-N-methylpropanamide;ethane.
What is the SMILES notation for 3-(1,4-dimethylimidazol-2-yl)-N-methylpropanamide;ethane?
The canonical SMILES for 3-(1,4-dimethylimidazol-2-yl)-N-methylpropanamide;ethane is CC.CC.CNC(=O)CCc1nc(C)cn1C.
What is the InChIKey of 3-(1,4-dimethylimidazol-2-yl)-N-methylpropanamide;ethane?
The InChIKey is MUAGUUUISOVNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O.2C2H6/c1-7-6-12(3)8(11-7)4-5-9(13)10-2;2*1-2/h6H,4-5H2,1-3H3,(H,10,13);2*1-2H3.
What are the key properties of 3-(1,4-dimethylimidazol-2-yl)-N-methylpropanamide;ethane?
3-(1,4-dimethylimidazol-2-yl)-N-methylpropanamide;ethane has a molecular weight of 241.38 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dimethylimidazol-2-yl)-N-methylpropanamide;ethane is sourced from PubChem (CID 171550592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).