N-(2-anilino-2-oxoethyl)-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide

C25H22N2O4 — CID 46808303

IUPACN-(2-anilino-2-oxoethyl)-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
SMILESCN(CC(=O)Nc1ccccc1)C(=O)c1oc2ccccc2c1COc1ccccc1
InChIInChI=1S/C25H22N2O4/c1-27(16-23(28)26-18-10-4-2-5-11-18)25(29)24-21(17-30-19-12-6-3-7-13-19)20-14-8-9-15-22(20)31-24/h2-15H,16-17H2,1H3,(H,26,28)
InChIKeyCULVNRGIQDELBH-UHFFFAOYSA-N
MW414.46 g/mol
LogP4.72
Rot. Bonds7

About N-(2-anilino-2-oxoethyl)-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide

N-(2-anilino-2-oxoethyl)-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide (PubChem CID 46808303) has the molecular formula C25H22N2O4 and a molecular weight of 414.46 g/mol. Its IUPAC name is N-(2-anilino-2-oxoethyl)-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxoethyl)-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
PubChem CID46808303
Molecular FormulaC25H22N2O4
Molecular Weight414.46 g/mol
Exact Mass414.16
IUPAC NameN-(2-anilino-2-oxoethyl)-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
SMILESCN(CC(=O)Nc1ccccc1)C(=O)c1oc2ccccc2c1COc1ccccc1
InChIInChI=1S/C25H22N2O4/c1-27(16-23(28)26-18-10-4-2-5-11-18)25(29)24-21(17-30-19-12-6-3-7-13-19)20-14-8-9-15-22(20)31-24/h2-15H,16-17H2,1H3,(H,26,28)
InChIKeyCULVNRGIQDELBH-UHFFFAOYSA-N
XLogP4.72
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 31929309
N-methyl-3-(phenoxymethyl)-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide
CID 55675605
[(2R)-1-anilino-1-oxopropan-2-yl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate
CID 7903996
N-(3-acetamidophenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 7914455
N,N-bis(2-methoxyethyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 36840872
N-(4-methylsulfonylphenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 18775166
N-cyclohexyl-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 18287633
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 32517009
3-(phenoxymethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 7661645
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 26904052
[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate
CID 42971745
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate
CID 4685045

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxoethyl)-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-anilino-2-oxoethyl)-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide (CID 46808303) is N-(2-anilino-2-oxoethyl)-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-anilino-2-oxoethyl)-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-anilino-2-oxoethyl)-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide is CN(CC(=O)Nc1ccccc1)C(=O)c1oc2ccccc2c1COc1ccccc1.
What is the InChIKey of N-(2-anilino-2-oxoethyl)-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
The InChIKey is CULVNRGIQDELBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O4/c1-27(16-23(28)26-18-10-4-2-5-11-18)25(29)24-21(17-30-19-12-6-3-7-13-19)20-14-8-9-15-22(20)31-24/h2-15H,16-17H2,1H3,(H,26,28).
What are the key properties of N-(2-anilino-2-oxoethyl)-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
N-(2-anilino-2-oxoethyl)-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide has a molecular weight of 414.46 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxoethyl)-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 46808303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).