5-[(4-cyanophenoxy)methyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]furan-2-carboxamide

C24H23N3O4 — CID 86886561

IUPAC5-[(4-cyanophenoxy)methyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]furan-2-carboxamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1
InChIInChI=1S/C24H23N3O4/c1-16(2)14-26-23(28)20-5-3-4-6-21(20)27-24(29)22-12-11-19(31-22)15-30-18-9-7-17(13-25)8-10-18/h3-12,16H,14-15H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyDNHRLKNALFGHTN-UHFFFAOYSA-N
MW417.47 g/mol
LogP4.37
Rot. Bonds8

About 5-[(4-cyanophenoxy)methyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]furan-2-carboxamide

5-[(4-cyanophenoxy)methyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]furan-2-carboxamide (PubChem CID 86886561) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is 5-[(4-cyanophenoxy)methyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-cyanophenoxy)methyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]furan-2-carboxamide
PubChem CID86886561
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Name5-[(4-cyanophenoxy)methyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]furan-2-carboxamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1
InChIInChI=1S/C24H23N3O4/c1-16(2)14-26-23(28)20-5-3-4-6-21(20)27-24(29)22-12-11-19(31-22)15-30-18-9-7-17(13-25)8-10-18/h3-12,16H,14-15H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyDNHRLKNALFGHTN-UHFFFAOYSA-N
XLogP4.37
TPSA104.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-iodophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 19417296
N-(2-cyanophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide
CID 19440079
N-(2-cyanophenyl)-5-[(4-propylphenoxy)methyl]furan-2-carboxamide
CID 19454573
N-(2-methylpropyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19455453
5-[(4-cyanophenoxy)methyl]furan-2-carboxylate
CID 4290764
N-(2-methylpropyl)-2-[(2-phenoxyacetyl)amino]benzamide
CID 18089922
5-[(3-methylphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 19467228
[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7893045
5-(methoxymethyl)-N-[2-(propan-2-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 78865416
5-[(3-chlorophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 19446135
N-(3-cyanophenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 9245570
N-(2-chlorophenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7679417

Frequently Asked Questions

What is the IUPAC name of 5-[(4-cyanophenoxy)methyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-[(4-cyanophenoxy)methyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]furan-2-carboxamide (CID 86886561) is 5-[(4-cyanophenoxy)methyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(4-cyanophenoxy)methyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-[(4-cyanophenoxy)methyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]furan-2-carboxamide is CC(C)CNC(=O)c1ccccc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1.
What is the InChIKey of 5-[(4-cyanophenoxy)methyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]furan-2-carboxamide?
The InChIKey is DNHRLKNALFGHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-16(2)14-26-23(28)20-5-3-4-6-21(20)27-24(29)22-12-11-19(31-22)15-30-18-9-7-17(13-25)8-10-18/h3-12,16H,14-15H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of 5-[(4-cyanophenoxy)methyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]furan-2-carboxamide?
5-[(4-cyanophenoxy)methyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]furan-2-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 4.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-cyanophenoxy)methyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 86886561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).