2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-methylpropanamide

C13H18N4O2 — CID 61464680

IUPAC2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-methylpropanamide
SMILESCNC(=O)C(C)NC(c1ccco1)c1nccn1C
InChIInChI=1S/C13H18N4O2/c1-9(13(18)14-2)16-11(10-5-4-8-19-10)12-15-6-7-17(12)3/h4-9,11,16H,1-3H3,(H,14,18)
InChIKeyKOTZTEUHNZCBGL-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.83
Rot. Bonds5

About 2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-methylpropanamide

2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-methylpropanamide (PubChem CID 61464680) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-methylpropanamide
PubChem CID61464680
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-methylpropanamide
SMILESCNC(=O)C(C)NC(c1ccco1)c1nccn1C
InChIInChI=1S/C13H18N4O2/c1-9(13(18)14-2)16-11(10-5-4-8-19-10)12-15-6-7-17(12)3/h4-9,11,16H,1-3H3,(H,14,18)
InChIKeyKOTZTEUHNZCBGL-UHFFFAOYSA-N
XLogP0.83
TPSA72.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-propylpropanamide
CID 43781268
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylbutan-2-amine
CID 43773884
2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]acetamide
CID 43754710
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylpentan-2-amine
CID 61463674
2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-4-methylpentan-1-ol
CID 61246713
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 104759298
3-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]propan-1-ol
CID 43770586
N-ethyl-2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-methylacetamide
CID 107856099
4-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline
CID 43762276
6-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]hexan-1-ol
CID 107849626
1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-[(2-methylphenyl)methyl]methanamine
CID 60913950
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylsulfonylethanamine
CID 54931888

Frequently Asked Questions

What is the IUPAC name of 2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-methylpropanamide?
The IUPAC name of 2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-methylpropanamide (CID 61464680) is 2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-methylpropanamide.
What is the SMILES notation for 2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-methylpropanamide?
The canonical SMILES for 2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-methylpropanamide is CNC(=O)C(C)NC(c1ccco1)c1nccn1C.
What is the InChIKey of 2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-methylpropanamide?
The InChIKey is KOTZTEUHNZCBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-9(13(18)14-2)16-11(10-5-4-8-19-10)12-15-6-7-17(12)3/h4-9,11,16H,1-3H3,(H,14,18).
What are the key properties of 2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-methylpropanamide?
2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-methylpropanamide has a molecular weight of 262.31 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-methylpropanamide is sourced from PubChem (CID 61464680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).