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

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

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Related Compounds

5-[4-[(Dimethylamino)methyl]-3,5-dimethoxyphenyl]-7-methyl-1,7-naphthyridin-8-one
CID 127051726
Methyl ((6-(5-(4-((3-methylbut-2-en-1-yl)oxy)phenyl)oxazol-2-yl)pyridin-3-yl)methyl)-L-prolinate
CID 137635377
3,4,5-Trimethoxy-N-pyridin-2-ylmethyl-N-(tetrahydro-furan-2-ylmethyl)-benzamide
CID 6603369
3-Oxo-1,3-dihydro-2-benzofuran-1-yl 5-butoxypyridine-2-carboxylate
CID 3050707
3,4,5-trimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 646561
Ethyl 1-(3,4,5-trimethoxybenzoyl)pyrrole-2-carboxylate
CID 44597527
Ethyl 4-[3-(3-methoxyphenoxy)pyrazin-2-yl]benzoate
CID 172434334
N-{[7-(3,6-dimethyl-2-pyrazinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl}-3,5-dimethoxybenzamide
CID 45165560
1-(2,4-Dimethoxybenzoyl)-N-methyl-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide
CID 110198729
1-(2,4-Dimethoxybenzoyl)-N-(2-methoxyethyl)-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide
CID 110198816
N-Cyclopropyl-1-(2,4-dimethoxybenzoyl)-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide
CID 110198992
(2S,4S)-1-(2,4-dimethoxybenzoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110199068

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).