ethyl 4-[[6-(dimethylcarbamoyl)-3-pyridinyl]oxy]-2-methyl-2,3-dihydro-1-benzofuran-6-carboxylate

C20H22N2O5 — CID 67488978

IUPACethyl 4-[[6-(dimethylcarbamoyl)-3-pyridinyl]oxy]-2-methyl-2,3-dihydro-1-benzofuran-6-carboxylate
SMILESCCOC(=O)c1cc(Oc2ccc(C(=O)N(C)C)nc2)c2c(c1)OC(C)C2
InChIInChI=1S/C20H22N2O5/c1-5-25-20(24)13-9-17-15(8-12(2)26-17)18(10-13)27-14-6-7-16(21-11-14)19(23)22(3)4/h6-7,9-12H,5,8H2,1-4H3
InChIKeyYRAUSALNPCTKJK-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.08
Rot. Bonds5

About ethyl 4-[[6-(dimethylcarbamoyl)-3-pyridinyl]oxy]-2-methyl-2,3-dihydro-1-benzofuran-6-carboxylate

ethyl 4-[[6-(dimethylcarbamoyl)-3-pyridinyl]oxy]-2-methyl-2,3-dihydro-1-benzofuran-6-carboxylate (PubChem CID 67488978) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is ethyl 4-[[6-(dimethylcarbamoyl)-3-pyridinyl]oxy]-2-methyl-2,3-dihydro-1-benzofuran-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[6-(dimethylcarbamoyl)-3-pyridinyl]oxy]-2-methyl-2,3-dihydro-1-benzofuran-6-carboxylate
PubChem CID67488978
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Nameethyl 4-[[6-(dimethylcarbamoyl)-3-pyridinyl]oxy]-2-methyl-2,3-dihydro-1-benzofuran-6-carboxylate
SMILESCCOC(=O)c1cc(Oc2ccc(C(=O)N(C)C)nc2)c2c(c1)OC(C)C2
InChIInChI=1S/C20H22N2O5/c1-5-25-20(24)13-9-17-15(8-12(2)26-17)18(10-13)27-14-6-7-16(21-11-14)19(23)22(3)4/h6-7,9-12H,5,8H2,1-4H3
InChIKeyYRAUSALNPCTKJK-UHFFFAOYSA-N
XLogP3.08
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[6-(dimethylcarbamoyl)-3-pyridinyl]oxy]-2-methyl-2,3-dihydro-1-benzofuran-6-carboxylate?
The IUPAC name of ethyl 4-[[6-(dimethylcarbamoyl)-3-pyridinyl]oxy]-2-methyl-2,3-dihydro-1-benzofuran-6-carboxylate (CID 67488978) is ethyl 4-[[6-(dimethylcarbamoyl)-3-pyridinyl]oxy]-2-methyl-2,3-dihydro-1-benzofuran-6-carboxylate.
What is the SMILES notation for ethyl 4-[[6-(dimethylcarbamoyl)-3-pyridinyl]oxy]-2-methyl-2,3-dihydro-1-benzofuran-6-carboxylate?
The canonical SMILES for ethyl 4-[[6-(dimethylcarbamoyl)-3-pyridinyl]oxy]-2-methyl-2,3-dihydro-1-benzofuran-6-carboxylate is CCOC(=O)c1cc(Oc2ccc(C(=O)N(C)C)nc2)c2c(c1)OC(C)C2.
What is the InChIKey of ethyl 4-[[6-(dimethylcarbamoyl)-3-pyridinyl]oxy]-2-methyl-2,3-dihydro-1-benzofuran-6-carboxylate?
The InChIKey is YRAUSALNPCTKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-5-25-20(24)13-9-17-15(8-12(2)26-17)18(10-13)27-14-6-7-16(21-11-14)19(23)22(3)4/h6-7,9-12H,5,8H2,1-4H3.
What are the key properties of ethyl 4-[[6-(dimethylcarbamoyl)-3-pyridinyl]oxy]-2-methyl-2,3-dihydro-1-benzofuran-6-carboxylate?
ethyl 4-[[6-(dimethylcarbamoyl)-3-pyridinyl]oxy]-2-methyl-2,3-dihydro-1-benzofuran-6-carboxylate has a molecular weight of 370.41 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[6-(dimethylcarbamoyl)-3-pyridinyl]oxy]-2-methyl-2,3-dihydro-1-benzofuran-6-carboxylate is sourced from PubChem (CID 67488978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).