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

C14H20N4O2 — CID 107856099

IUPACN-ethyl-2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-methylacetamide
SMILESCCN(C)C(=O)CNC(c1ccco1)c1nccn1C
InChIInChI=1S/C14H20N4O2/c1-4-17(2)12(19)10-16-13(11-6-5-9-20-11)14-15-7-8-18(14)3/h5-9,13,16H,4,10H2,1-3H3
InChIKeyBESBAKCTGKMEIY-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.17
Rot. Bonds6

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

N-ethyl-2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-methylacetamide (PubChem CID 107856099) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-ethyl-2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-methylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-methylacetamide
PubChem CID107856099
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-ethyl-2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-methylacetamide
SMILESCCN(C)C(=O)CNC(c1ccco1)c1nccn1C
InChIInChI=1S/C14H20N4O2/c1-4-17(2)12(19)10-16-13(11-6-5-9-20-11)14-15-7-8-18(14)3/h5-9,13,16H,4,10H2,1-3H3
InChIKeyBESBAKCTGKMEIY-UHFFFAOYSA-N
XLogP1.17
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]acetamide
CID 43754710
3-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]propan-1-ol
CID 43770586
2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-propylpropanamide
CID 43781268
1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 61284438
N-ethyl-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-methylacetamide
CID 81399721
N'-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 43758895
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylsulfonylethanamine
CID 54931888
2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-methylpropanamide
CID 61464680
6-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]hexan-1-ol
CID 107849626
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]methyl]hexan-1-ol
CID 106114847
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(furan-2-yl)-1-(1-methylimidazol-2-yl)methanamine
CID 106302264

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-methylacetamide?
The IUPAC name of N-ethyl-2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-methylacetamide (CID 107856099) is N-ethyl-2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-methylacetamide.
What is the SMILES notation for N-ethyl-2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-methylacetamide?
The canonical SMILES for N-ethyl-2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-methylacetamide is CCN(C)C(=O)CNC(c1ccco1)c1nccn1C.
What is the InChIKey of N-ethyl-2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-methylacetamide?
The InChIKey is BESBAKCTGKMEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-4-17(2)12(19)10-16-13(11-6-5-9-20-11)14-15-7-8-18(14)3/h5-9,13,16H,4,10H2,1-3H3.
What are the key properties of N-ethyl-2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-methylacetamide?
N-ethyl-2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-methylacetamide has a molecular weight of 276.34 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-methylacetamide is sourced from PubChem (CID 107856099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).