5-[(2-cyanophenoxy)methyl]-N-[(3-ethoxyphenyl)methyl]furan-2-carboxamide

C22H20N2O4 — CID 55844677

IUPAC5-[(2-cyanophenoxy)methyl]-N-[(3-ethoxyphenyl)methyl]furan-2-carboxamide
SMILESCCOc1cccc(CNC(=O)c2ccc(COc3ccccc3C#N)o2)c1
InChIInChI=1S/C22H20N2O4/c1-2-26-18-8-5-6-16(12-18)14-24-22(25)21-11-10-19(28-21)15-27-20-9-4-3-7-17(20)13-23/h3-12H,2,14-15H2,1H3,(H,24,25)
InChIKeyMXAJDKZZFJCIEB-UHFFFAOYSA-N
MW376.41 g/mol
LogP4.06
Rot. Bonds8

About 5-[(2-cyanophenoxy)methyl]-N-[(3-ethoxyphenyl)methyl]furan-2-carboxamide

5-[(2-cyanophenoxy)methyl]-N-[(3-ethoxyphenyl)methyl]furan-2-carboxamide (PubChem CID 55844677) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is 5-[(2-cyanophenoxy)methyl]-N-[(3-ethoxyphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-cyanophenoxy)methyl]-N-[(3-ethoxyphenyl)methyl]furan-2-carboxamide
PubChem CID55844677
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name5-[(2-cyanophenoxy)methyl]-N-[(3-ethoxyphenyl)methyl]furan-2-carboxamide
SMILESCCOc1cccc(CNC(=O)c2ccc(COc3ccccc3C#N)o2)c1
InChIInChI=1S/C22H20N2O4/c1-2-26-18-8-5-6-16(12-18)14-24-22(25)21-11-10-19(28-21)15-27-20-9-4-3-7-17(20)13-23/h3-12H,2,14-15H2,1H3,(H,24,25)
InChIKeyMXAJDKZZFJCIEB-UHFFFAOYSA-N
XLogP4.06
TPSA84.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(butanoylamino)phenyl]methyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide
CID 55843556
5-[(2-cyanophenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 51085773
N-[2-(3-chlorophenyl)ethyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide
CID 55825170
5-[(3-chlorophenoxy)methyl]-N-[(3,4-diethoxyphenyl)methyl]furan-2-carboxamide
CID 19446192
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide
CID 55826911
N-(2-cyanoethyl)-5-[(2-cyanophenoxy)methyl]-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 56534140
N-[(3-ethoxyphenyl)methyl]-4-nitrobenzamide
CID 71820489
5-[(2-cyanophenoxy)methyl]-N-[(2R)-2-cyclopentyl-2-hydroxypropyl]furan-2-carboxamide
CID 95783263
5-[(2-cyanophenoxy)methyl]-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]furan-2-carboxamide
CID 52512133
N-(4-chloro-2-methylphenyl)-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide
CID 55884416
5-[(2-chlorophenoxy)methyl]-N-[(3,4-dichlorophenyl)methyl]furan-2-carboxamide
CID 4139417
5-[(2-cyanophenoxy)methyl]-N-methyl-N-propan-2-ylfuran-2-carboxamide
CID 87024322

Frequently Asked Questions

What is the IUPAC name of 5-[(2-cyanophenoxy)methyl]-N-[(3-ethoxyphenyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-[(2-cyanophenoxy)methyl]-N-[(3-ethoxyphenyl)methyl]furan-2-carboxamide (CID 55844677) is 5-[(2-cyanophenoxy)methyl]-N-[(3-ethoxyphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(2-cyanophenoxy)methyl]-N-[(3-ethoxyphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-[(2-cyanophenoxy)methyl]-N-[(3-ethoxyphenyl)methyl]furan-2-carboxamide is CCOc1cccc(CNC(=O)c2ccc(COc3ccccc3C#N)o2)c1.
What is the InChIKey of 5-[(2-cyanophenoxy)methyl]-N-[(3-ethoxyphenyl)methyl]furan-2-carboxamide?
The InChIKey is MXAJDKZZFJCIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-2-26-18-8-5-6-16(12-18)14-24-22(25)21-11-10-19(28-21)15-27-20-9-4-3-7-17(20)13-23/h3-12H,2,14-15H2,1H3,(H,24,25).
What are the key properties of 5-[(2-cyanophenoxy)methyl]-N-[(3-ethoxyphenyl)methyl]furan-2-carboxamide?
5-[(2-cyanophenoxy)methyl]-N-[(3-ethoxyphenyl)methyl]furan-2-carboxamide has a molecular weight of 376.41 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-cyanophenoxy)methyl]-N-[(3-ethoxyphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 55844677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).