N-(2-methoxy-5-methylphenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide

C24H21NO4 — CID 7962546

IUPACN-(2-methoxy-5-methylphenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1oc2ccccc2c1COc1ccccc1
InChIInChI=1S/C24H21NO4/c1-16-12-13-22(27-2)20(14-16)25-24(26)23-19(15-28-17-8-4-3-5-9-17)18-10-6-7-11-21(18)29-23/h3-14H,15H2,1-2H3,(H,25,26)
InChIKeyARIOZIQVDIAELI-UHFFFAOYSA-N
MW387.44 g/mol
LogP5.58
Rot. Bonds6

About N-(2-methoxy-5-methylphenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide

N-(2-methoxy-5-methylphenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide (PubChem CID 7962546) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
PubChem CID7962546
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC NameN-(2-methoxy-5-methylphenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1oc2ccccc2c1COc1ccccc1
InChIInChI=1S/C24H21NO4/c1-16-12-13-22(27-2)20(14-16)25-24(26)23-19(15-28-17-8-4-3-5-9-17)18-10-6-7-11-21(18)29-23/h3-14H,15H2,1-2H3,(H,25,26)
InChIKeyARIOZIQVDIAELI-UHFFFAOYSA-N
XLogP5.58
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.44
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-methyl-1,3-benzothiazol-2-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 7919912
N-(3-acetamidophenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 7914455
3-(phenoxymethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 7661645
N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 47074151
N-(6-methyl-2-pyridinyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 39946412
methyl 3-methyl-2-[[3-(phenoxymethyl)-1-benzofuran-2-carbonyl]amino]pentanoate
CID 112791595
N-(4-methylsulfonylphenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 18775166
3-(ethoxymethyl)-N-(2-methoxydibenzofuran-3-yl)-1-benzofuran-2-carboxamide
CID 9098193
N-[3-(hydroxymethyl)phenyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 112766618
N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 55727052
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 26904052
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 55377948

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide (CID 7962546) is N-(2-methoxy-5-methylphenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide is COc1ccc(C)cc1NC(=O)c1oc2ccccc2c1COc1ccccc1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
The InChIKey is ARIOZIQVDIAELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4/c1-16-12-13-22(27-2)20(14-16)25-24(26)23-19(15-28-17-8-4-3-5-9-17)18-10-6-7-11-21(18)29-23/h3-14H,15H2,1-2H3,(H,25,26).
What are the key properties of N-(2-methoxy-5-methylphenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
N-(2-methoxy-5-methylphenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7962546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).