5-[(3,4-dimethylphenoxy)methyl]-N-phenylfuran-2-carboxamide

C20H19NO3 — CID 19450839

IUPAC5-[(3,4-dimethylphenoxy)methyl]-N-phenylfuran-2-carboxamide
SMILESCc1ccc(OCc2ccc(C(=O)Nc3ccccc3)o2)cc1C
InChIInChI=1S/C20H19NO3/c1-14-8-9-17(12-15(14)2)23-13-18-10-11-19(24-18)20(22)21-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,21,22)
InChIKeyPNNCWWUKVBHMAI-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.73
Rot. Bonds5

About 5-[(3,4-dimethylphenoxy)methyl]-N-phenylfuran-2-carboxamide

5-[(3,4-dimethylphenoxy)methyl]-N-phenylfuran-2-carboxamide (PubChem CID 19450839) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 5-[(3,4-dimethylphenoxy)methyl]-N-phenylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[(3,4-dimethylphenoxy)methyl]-N-phenylfuran-2-carboxamide
PubChem CID19450839
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name5-[(3,4-dimethylphenoxy)methyl]-N-phenylfuran-2-carboxamide
SMILESCc1ccc(OCc2ccc(C(=O)Nc3ccccc3)o2)cc1C
InChIInChI=1S/C20H19NO3/c1-14-8-9-17(12-15(14)2)23-13-18-10-11-19(24-18)20(22)21-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,21,22)
InChIKeyPNNCWWUKVBHMAI-UHFFFAOYSA-N
XLogP4.73
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-methylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 7454734
N-(3,4-dichlorophenyl)-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19450784
N-(3,4-dimethylphenyl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
CID 18830628
5-[(3,4-dimethylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide
CID 19450775
N-(3-methylphenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7464174
5-[(3,4-dimethylphenoxy)methyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]furan-2-carboxamide
CID 19450760
5-[(3,4-dimethylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19450787
5-[(4-chloro-3-methylphenoxy)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 4605258
5-[(3,4-dimethylphenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide
CID 19450857
5-[(3,5-dimethylphenoxy)methyl]-N-(4-phenylphenyl)furan-2-carboxamide
CID 19463303
N-(1-benzyl-4-chloropyrazol-3-yl)-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19450922
N-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19450886

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethylphenoxy)methyl]-N-phenylfuran-2-carboxamide?
The IUPAC name of 5-[(3,4-dimethylphenoxy)methyl]-N-phenylfuran-2-carboxamide (CID 19450839) is 5-[(3,4-dimethylphenoxy)methyl]-N-phenylfuran-2-carboxamide.
What is the SMILES notation for 5-[(3,4-dimethylphenoxy)methyl]-N-phenylfuran-2-carboxamide?
The canonical SMILES for 5-[(3,4-dimethylphenoxy)methyl]-N-phenylfuran-2-carboxamide is Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3)o2)cc1C.
What is the InChIKey of 5-[(3,4-dimethylphenoxy)methyl]-N-phenylfuran-2-carboxamide?
The InChIKey is PNNCWWUKVBHMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-14-8-9-17(12-15(14)2)23-13-18-10-11-19(24-18)20(22)21-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,21,22).
What are the key properties of 5-[(3,4-dimethylphenoxy)methyl]-N-phenylfuran-2-carboxamide?
5-[(3,4-dimethylphenoxy)methyl]-N-phenylfuran-2-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethylphenoxy)methyl]-N-phenylfuran-2-carboxamide is sourced from PubChem (CID 19450839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).