[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate

C26H22N2O6 — CID 34772261

IUPAC[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate
SMILESCNC(=O)c1cccc(NC(=O)COC(=O)c2oc3ccccc3c2COc2ccccc2)c1
InChIInChI=1S/C26H22N2O6/c1-27-25(30)17-8-7-9-18(14-17)28-23(29)16-33-26(31)24-21(15-32-19-10-3-2-4-11-19)20-12-5-6-13-22(20)34-24/h2-14H,15-16H2,1H3,(H,27,30)(H,28,29)
InChIKeyLVFJHJILSSXRNF-UHFFFAOYSA-N
MW458.47 g/mol
LogP4.17
Rot. Bonds8

About [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate

[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate (PubChem CID 34772261) has the molecular formula C26H22N2O6 and a molecular weight of 458.47 g/mol. Its IUPAC name is [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate
PubChem CID34772261
Molecular FormulaC26H22N2O6
Molecular Weight458.47 g/mol
Exact Mass458.15
IUPAC Name[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate
SMILESCNC(=O)c1cccc(NC(=O)COC(=O)c2oc3ccccc3c2COc2ccccc2)c1
InChIInChI=1S/C26H22N2O6/c1-27-25(30)17-8-7-9-18(14-17)28-23(29)16-33-26(31)24-21(15-32-19-10-3-2-4-11-19)20-12-5-6-13-22(20)34-24/h2-14H,15-16H2,1H3,(H,27,30)(H,28,29)
InChIKeyLVFJHJILSSXRNF-UHFFFAOYSA-N
XLogP4.17
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.47
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate with MolForge

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Related Compounds

3-(methoxymethyl)-N-[3-(methylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 18084321
[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate
CID 2417670
N-(3-acetamidophenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 7914455
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate
CID 4685045
[2-(3-methylsulfonylanilino)-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 8955015
[2-(ethylcarbamoylamino)-2-oxoethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate
CID 2648017
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate
CID 2647260
[2-(3-methoxypropylamino)-2-oxoethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate
CID 8526816
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-methoxybenzoate
CID 17396359
N-[3-(hydroxymethyl)phenyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 112766618
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate
CID 16520047
ethyl 3-[[3-(carbamoylamino)benzoyl]oxymethyl]-1-benzofuran-2-carboxylate
CID 30019126

Frequently Asked Questions

What is the IUPAC name of [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate?
The IUPAC name of [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate (CID 34772261) is [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate.
What is the SMILES notation for [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate?
The canonical SMILES for [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate is CNC(=O)c1cccc(NC(=O)COC(=O)c2oc3ccccc3c2COc2ccccc2)c1.
What is the InChIKey of [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate?
The InChIKey is LVFJHJILSSXRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O6/c1-27-25(30)17-8-7-9-18(14-17)28-23(29)16-33-26(31)24-21(15-32-19-10-3-2-4-11-19)20-12-5-6-13-22(20)34-24/h2-14H,15-16H2,1H3,(H,27,30)(H,28,29).
What are the key properties of [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate?
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate has a molecular weight of 458.47 g/mol, XLogP of 4.17, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate is sourced from PubChem (CID 34772261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).