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

C22H22N2O4 — CID 19463236

IUPACN-(4-acetamidophenyl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(COc3cc(C)cc(C)c3)o2)cc1
InChIInChI=1S/C22H22N2O4/c1-14-10-15(2)12-20(11-14)27-13-19-8-9-21(28-19)22(26)24-18-6-4-17(5-7-18)23-16(3)25/h4-12H,13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyZCRBKSDXOZQRES-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.69
Rot. Bonds6

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

N-(4-acetamidophenyl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19463236) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide
PubChem CID19463236
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC NameN-(4-acetamidophenyl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(COc3cc(C)cc(C)c3)o2)cc1
InChIInChI=1S/C22H22N2O4/c1-14-10-15(2)12-20(11-14)27-13-19-8-9-21(28-19)22(26)24-18-6-4-17(5-7-18)23-16(3)25/h4-12H,13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyZCRBKSDXOZQRES-UHFFFAOYSA-N
XLogP4.69
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3,5-dimethylphenoxy)methyl]-N-(4-phenylphenyl)furan-2-carboxamide
CID 19463303
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19463254
N-(4-acetamidophenyl)-5-[(4-acetylphenoxy)methyl]furan-2-carboxamide
CID 19455187
5-[(3,5-dimethylphenoxy)methyl]-N-ethylfuran-2-carboxamide
CID 19463410
5-[(4-methylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 7454734
5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxylic acid
CID 725878
N-(3,4-dimethylphenyl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
CID 18830628
5-[(3,5-dimethylphenoxy)methyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 19463380
N-(3-methylphenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7464174
N-(4-acetamidophenyl)-5-[(2-bromophenoxy)methyl]furan-2-carboxamide
CID 1002606
5-[(3,4-dimethylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 19450839
N-(4-acetylphenyl)-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide
CID 19416966

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide (CID 19463236) is N-(4-acetamidophenyl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide is CC(=O)Nc1ccc(NC(=O)c2ccc(COc3cc(C)cc(C)c3)o2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide?
The InChIKey is ZCRBKSDXOZQRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-14-10-15(2)12-20(11-14)27-13-19-8-9-21(28-19)22(26)24-18-6-4-17(5-7-18)23-16(3)25/h4-12H,13H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-(4-acetamidophenyl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide?
N-(4-acetamidophenyl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19463236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).