5-ethoxy-3-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1-benzofuran-2-carboxamide

C24H28N2O4 — CID 24980019

IUPAC5-ethoxy-3-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1-benzofuran-2-carboxamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)c1oc2ccc(OCC)cc2c1C
InChIInChI=1S/C24H28N2O4/c1-5-13-26(15-22(27)25-20-10-8-7-9-16(20)3)24(28)23-17(4)19-14-18(29-6-2)11-12-21(19)30-23/h7-12,14H,5-6,13,15H2,1-4H3,(H,25,27)
InChIKeyCAILMEWHOQTSDF-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.94
Rot. Bonds8

About 5-ethoxy-3-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1-benzofuran-2-carboxamide

5-ethoxy-3-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1-benzofuran-2-carboxamide (PubChem CID 24980019) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 5-ethoxy-3-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-ethoxy-3-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1-benzofuran-2-carboxamide
PubChem CID24980019
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name5-ethoxy-3-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1-benzofuran-2-carboxamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)c1oc2ccc(OCC)cc2c1C
InChIInChI=1S/C24H28N2O4/c1-5-13-26(15-22(27)25-20-10-8-7-9-16(20)3)24(28)23-17(4)19-14-18(29-6-2)11-12-21(19)30-23/h7-12,14H,5-6,13,15H2,1-4H3,(H,25,27)
InChIKeyCAILMEWHOQTSDF-UHFFFAOYSA-N
XLogP4.94
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methoxymethyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1-benzofuran-2-carboxamide
CID 31977010
[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate
CID 18287307
3-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-1-benzofuran-2-carboxamide
CID 26730475
2-[[2-(4-fluorophenoxy)acetyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 38680702
5-ethoxy-N-(3-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 9072285
2-ethyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbutanamide
CID 112790013
2,4-dichloro-5-fluoro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide
CID 55388510
3,5-dichloro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide
CID 38684187
2-[[2-(2-ethylphenoxy)acetyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 55327341
[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate
CID 8736680
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
CID 26006243
N-(4-acetamidophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8701405

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-ethoxy-3-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1-benzofuran-2-carboxamide (CID 24980019) is 5-ethoxy-3-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-ethoxy-3-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-ethoxy-3-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1-benzofuran-2-carboxamide is CCCN(CC(=O)Nc1ccccc1C)C(=O)c1oc2ccc(OCC)cc2c1C.
What is the InChIKey of 5-ethoxy-3-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1-benzofuran-2-carboxamide?
The InChIKey is CAILMEWHOQTSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-5-13-26(15-22(27)25-20-10-8-7-9-16(20)3)24(28)23-17(4)19-14-18(29-6-2)11-12-21(19)30-23/h7-12,14H,5-6,13,15H2,1-4H3,(H,25,27).
What are the key properties of 5-ethoxy-3-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1-benzofuran-2-carboxamide?
5-ethoxy-3-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1-benzofuran-2-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24980019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).