[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate

C21H21NO4 — CID 8525269

IUPAC[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
SMILESCc1ccc2c(CC(=O)OCC(=O)N(C)Cc3ccccc3)coc2c1
InChIInChI=1S/C21H21NO4/c1-15-8-9-18-17(13-25-19(18)10-15)11-21(24)26-14-20(23)22(2)12-16-6-4-3-5-7-16/h3-10,13H,11-12,14H2,1-2H3
InChIKeyUOWOXUWXWAHZRA-UHFFFAOYSA-N
MW351.40 g/mol
LogP3.49
Rot. Bonds6

About [2-[benzyl(methyl)amino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate

[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate (PubChem CID 8525269) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is [2-[benzyl(methyl)amino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
PubChem CID8525269
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Name[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
SMILESCc1ccc2c(CC(=O)OCC(=O)N(C)Cc3ccccc3)coc2c1
InChIInChI=1S/C21H21NO4/c1-15-8-9-18-17(13-25-19(18)10-15)11-21(24)26-14-20(23)22(2)12-16-6-4-3-5-7-16/h3-10,13H,11-12,14H2,1-2H3
InChIKeyUOWOXUWXWAHZRA-UHFFFAOYSA-N
XLogP3.49
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[benzyl(methyl)amino]-2-oxoethyl] 2-phenylacetate
CID 55319362
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7480706
2-[ethoxycarbonyl(methyl)amino]ethyl 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 86937869
2-(1-benzofuran-3-yl)-N-benzyl-N-methylacetamide
CID 110851126
[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 8887166
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8525379
[2-(tert-butylamino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 7872108
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8525331
ethyl 2-(6-phenylmethoxy-1-benzofuran-3-yl)acetate
CID 91423659
[2-[benzyl(methyl)amino]-2-oxoethyl] propanoate
CID 57155799
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8525179
N-methyl-2-(6-methyl-1-benzofuran-3-yl)-N-[(2-nitrophenyl)methyl]acetamide
CID 46399107

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate?
The IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate (CID 8525269) is [2-[benzyl(methyl)amino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate.
What is the SMILES notation for [2-[benzyl(methyl)amino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate?
The canonical SMILES for [2-[benzyl(methyl)amino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate is Cc1ccc2c(CC(=O)OCC(=O)N(C)Cc3ccccc3)coc2c1.
What is the InChIKey of [2-[benzyl(methyl)amino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate?
The InChIKey is UOWOXUWXWAHZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c1-15-8-9-18-17(13-25-19(18)10-15)11-21(24)26-14-20(23)22(2)12-16-6-4-3-5-7-16/h3-10,13H,11-12,14H2,1-2H3.
What are the key properties of [2-[benzyl(methyl)amino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate?
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate has a molecular weight of 351.40 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(methyl)amino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 8525269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).