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

C26H23NO3 — CID 19463303

IUPAC5-[(3,5-dimethylphenoxy)methyl]-N-(4-phenylphenyl)furan-2-carboxamide
SMILESCc1cc(C)cc(OCc2ccc(C(=O)Nc3ccc(-c4ccccc4)cc3)o2)c1
InChIInChI=1S/C26H23NO3/c1-18-14-19(2)16-24(15-18)29-17-23-12-13-25(30-23)26(28)27-22-10-8-21(9-11-22)20-6-4-3-5-7-20/h3-16H,17H2,1-2H3,(H,27,28)
InChIKeyBWRRQBKIFMDEFT-UHFFFAOYSA-N
MW397.47 g/mol
LogP6.39
Rot. Bonds6

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

5-[(3,5-dimethylphenoxy)methyl]-N-(4-phenylphenyl)furan-2-carboxamide (PubChem CID 19463303) has the molecular formula C26H23NO3 and a molecular weight of 397.47 g/mol. Its IUPAC name is 5-[(3,5-dimethylphenoxy)methyl]-N-(4-phenylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(3,5-dimethylphenoxy)methyl]-N-(4-phenylphenyl)furan-2-carboxamide
PubChem CID19463303
Molecular FormulaC26H23NO3
Molecular Weight397.47 g/mol
Exact Mass397.17
IUPAC Name5-[(3,5-dimethylphenoxy)methyl]-N-(4-phenylphenyl)furan-2-carboxamide
SMILESCc1cc(C)cc(OCc2ccc(C(=O)Nc3ccc(-c4ccccc4)cc3)o2)c1
InChIInChI=1S/C26H23NO3/c1-18-14-19(2)16-24(15-18)29-17-23-12-13-25(30-23)26(28)27-22-10-8-21(9-11-22)20-6-4-3-5-7-20/h3-16H,17H2,1-2H3,(H,27,28)
InChIKeyBWRRQBKIFMDEFT-UHFFFAOYSA-N
XLogP6.39
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.47
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19463236
5-[(4-methylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 7454734
5-[(4-fluorophenoxy)methyl]-N-(4-phenylphenyl)furan-2-carboxamide
CID 19413095
N-(3-methylphenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7464174
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19463254
5-[(3,4-dimethylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 19450839
N-(4-phenylphenyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19415524
3-[[5-[(4-phenylphenoxy)methyl]furan-2-carbonyl]amino]benzoic acid
CID 17386602
5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxylic acid
CID 725878
5-(naphthalen-1-yloxymethyl)-N-(4-phenylphenyl)furan-2-carboxamide
CID 19412894
5-[(3,5-dimethylphenoxy)methyl]-N-ethylfuran-2-carboxamide
CID 19463410
N-(3,4-dimethylphenyl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
CID 18830628

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylphenoxy)methyl]-N-(4-phenylphenyl)furan-2-carboxamide?
The IUPAC name of 5-[(3,5-dimethylphenoxy)methyl]-N-(4-phenylphenyl)furan-2-carboxamide (CID 19463303) is 5-[(3,5-dimethylphenoxy)methyl]-N-(4-phenylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(3,5-dimethylphenoxy)methyl]-N-(4-phenylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-[(3,5-dimethylphenoxy)methyl]-N-(4-phenylphenyl)furan-2-carboxamide is Cc1cc(C)cc(OCc2ccc(C(=O)Nc3ccc(-c4ccccc4)cc3)o2)c1.
What is the InChIKey of 5-[(3,5-dimethylphenoxy)methyl]-N-(4-phenylphenyl)furan-2-carboxamide?
The InChIKey is BWRRQBKIFMDEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO3/c1-18-14-19(2)16-24(15-18)29-17-23-12-13-25(30-23)26(28)27-22-10-8-21(9-11-22)20-6-4-3-5-7-20/h3-16H,17H2,1-2H3,(H,27,28).
What are the key properties of 5-[(3,5-dimethylphenoxy)methyl]-N-(4-phenylphenyl)furan-2-carboxamide?
5-[(3,5-dimethylphenoxy)methyl]-N-(4-phenylphenyl)furan-2-carboxamide has a molecular weight of 397.47 g/mol, XLogP of 6.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethylphenoxy)methyl]-N-(4-phenylphenyl)furan-2-carboxamide is sourced from PubChem (CID 19463303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).