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

C15H22N4O2 — CID 43781268

IUPAC2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(c1ccco1)c1nccn1C
InChIInChI=1S/C15H22N4O2/c1-4-7-17-15(20)11(2)18-13(12-6-5-10-21-12)14-16-8-9-19(14)3/h5-6,8-11,13,18H,4,7H2,1-3H3,(H,17,20)
InChIKeyXLDUKBFNLBVCHC-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.61
Rot. Bonds7

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

2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-propylpropanamide (PubChem CID 43781268) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-propylpropanamide
PubChem CID43781268
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(c1ccco1)c1nccn1C
InChIInChI=1S/C15H22N4O2/c1-4-7-17-15(20)11(2)18-13(12-6-5-10-21-12)14-16-8-9-19(14)3/h5-6,8-11,13,18H,4,7H2,1-3H3,(H,17,20)
InChIKeyXLDUKBFNLBVCHC-UHFFFAOYSA-N
XLogP1.61
TPSA72.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.61
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-methylpropanamide
CID 61464680
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]-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]-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
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylsulfonylethanamine
CID 54931888
6-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]hexan-1-ol
CID 107849626
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-propoxypropan-1-amine
CID 82942538
3-[[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]methyl]hexan-1-ol
CID 106114847

Frequently Asked Questions

What is the IUPAC name of 2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-propylpropanamide?
The IUPAC name of 2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-propylpropanamide (CID 43781268) is 2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-propylpropanamide.
What is the SMILES notation for 2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-propylpropanamide?
The canonical SMILES for 2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-propylpropanamide is CCCNC(=O)C(C)NC(c1ccco1)c1nccn1C.
What is the InChIKey of 2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-propylpropanamide?
The InChIKey is XLDUKBFNLBVCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-4-7-17-15(20)11(2)18-13(12-6-5-10-21-12)14-16-8-9-19(14)3/h5-6,8-11,13,18H,4,7H2,1-3H3,(H,17,20).
What are the key properties of 2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-propylpropanamide?
2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-propylpropanamide has a molecular weight of 290.37 g/mol, XLogP of 1.61, 7 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-propylpropanamide is sourced from PubChem (CID 43781268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).