5-ethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-2-carboxamide

C18H19N3O3 — CID 91795041

IUPAC5-ethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-2-carboxamide
SMILESCCOc1ccc(C(=O)NCc2ccc(-n3ccnc3C)cc2)o1
InChIInChI=1S/C18H19N3O3/c1-3-23-17-9-8-16(24-17)18(22)20-12-14-4-6-15(7-5-14)21-11-10-19-13(21)2/h4-11H,3,12H2,1-2H3,(H,20,22)
InChIKeyXBPKECWRFJVDAD-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.10
Rot. Bonds6

About 5-ethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-2-carboxamide

5-ethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-2-carboxamide (PubChem CID 91795041) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 5-ethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-ethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-2-carboxamide
PubChem CID91795041
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name5-ethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-2-carboxamide
SMILESCCOc1ccc(C(=O)NCc2ccc(-n3ccnc3C)cc2)o1
InChIInChI=1S/C18H19N3O3/c1-3-23-17-9-8-16(24-17)18(22)20-12-14-4-6-15(7-5-14)21-11-10-19-13(21)2/h4-11H,3,12H2,1-2H3,(H,20,22)
InChIKeyXBPKECWRFJVDAD-UHFFFAOYSA-N
XLogP3.10
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 43907556
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-3-carboxamide
CID 53159097
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]pyridine-3-carboxamide
CID 53159101
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 56863738
3,4-dimethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 92679900
2-methoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 43905420
2-(3,4-dimethoxyphenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 92680069
(2S)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-2-(3-methylphenoxy)butanamide
CID 92683728
2-(2-chlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 100632169
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 70751626
2-(3,5-dimethylphenoxy)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 92682720
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 92673554

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-2-carboxamide?
The IUPAC name of 5-ethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-2-carboxamide (CID 91795041) is 5-ethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-ethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-2-carboxamide?
The canonical SMILES for 5-ethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-2-carboxamide is CCOc1ccc(C(=O)NCc2ccc(-n3ccnc3C)cc2)o1.
What is the InChIKey of 5-ethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-2-carboxamide?
The InChIKey is XBPKECWRFJVDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-3-23-17-9-8-16(24-17)18(22)20-12-14-4-6-15(7-5-14)21-11-10-19-13(21)2/h4-11H,3,12H2,1-2H3,(H,20,22).
What are the key properties of 5-ethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-2-carboxamide?
5-ethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-2-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 91795041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).