(3-ethoxycarbonyl-2-methyl-1-benzofuran-5-yl) morpholine-4-carboxylate

C17H19NO6 — CID 650536

IUPAC(3-ethoxycarbonyl-2-methyl-1-benzofuran-5-yl) morpholine-4-carboxylate
SMILESCCOC(=O)c1c(C)oc2ccc(OC(=O)N3CCOCC3)cc12
InChIInChI=1S/C17H19NO6/c1-3-22-16(19)15-11(2)23-14-5-4-12(10-13(14)15)24-17(20)18-6-8-21-9-7-18/h4-5,10H,3,6-9H2,1-2H3
InChIKeyWJRGVTTVNUBOCW-UHFFFAOYSA-N
MW333.34 g/mol
LogP2.75
Rot. Bonds3

About (3-ethoxycarbonyl-2-methyl-1-benzofuran-5-yl) morpholine-4-carboxylate

(3-ethoxycarbonyl-2-methyl-1-benzofuran-5-yl) morpholine-4-carboxylate (PubChem CID 650536) has the molecular formula C17H19NO6 and a molecular weight of 333.34 g/mol. Its IUPAC name is (3-ethoxycarbonyl-2-methyl-1-benzofuran-5-yl) morpholine-4-carboxylate.

Molecular Properties

Compound Name(3-ethoxycarbonyl-2-methyl-1-benzofuran-5-yl) morpholine-4-carboxylate
PubChem CID650536
Molecular FormulaC17H19NO6
Molecular Weight333.34 g/mol
Exact Mass333.12
IUPAC Name(3-ethoxycarbonyl-2-methyl-1-benzofuran-5-yl) morpholine-4-carboxylate
SMILESCCOC(=O)c1c(C)oc2ccc(OC(=O)N3CCOCC3)cc12
InChIInChI=1S/C17H19NO6/c1-3-22-16(19)15-11(2)23-14-5-4-12(10-13(14)15)24-17(20)18-6-8-21-9-7-18/h4-5,10H,3,6-9H2,1-2H3
InChIKeyWJRGVTTVNUBOCW-UHFFFAOYSA-N
XLogP2.75
TPSA78.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(Isopropoxycarbonyl)-2-methylbenzofuran-5-yl morpholine-4-carboxylate
CID 708278
2-Methoxyethyl 5-(benzyloxy)-2-methyl-1-benzofuran-3-carboxylate
CID 1908850
5-Carbamoylmethoxy-2-phenyl-benzofuran-3-carboxylic acid ethyl ester
CID 680129
1-(4-Ethylpiperazin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone
CID 2411958
Ethyl 5-methoxy-2-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxylate
CID 38727
3-(Methoxycarbonyl)-2-methylbenzofuran-5-yl morpholine-4-carboxylate
CID 662104
Ethyl 5-(3,3-dimethyl-2-oxobutoxy)-2-methyl-1-benzofuran-3-carboxylate
CID 660303
Ethyl 5-methoxy-2-methyl-1-benzofuran-3-carboxylate
CID 785374
Ethyl 5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate
CID 854513
CES2 inhibitor 9d
CID 175670506
Ethyl 5-[(dimethylcarbamoyl)oxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate
CID 666220
2-Methoxyethyl 5-((dimethylcarbamoyl)oxy)-2-methylbenzofuran-3-carboxylate
CID 666664

Frequently Asked Questions

What is the IUPAC name of (3-ethoxycarbonyl-2-methyl-1-benzofuran-5-yl) morpholine-4-carboxylate?
The IUPAC name of (3-ethoxycarbonyl-2-methyl-1-benzofuran-5-yl) morpholine-4-carboxylate (CID 650536) is (3-ethoxycarbonyl-2-methyl-1-benzofuran-5-yl) morpholine-4-carboxylate.
What is the SMILES notation for (3-ethoxycarbonyl-2-methyl-1-benzofuran-5-yl) morpholine-4-carboxylate?
The canonical SMILES for (3-ethoxycarbonyl-2-methyl-1-benzofuran-5-yl) morpholine-4-carboxylate is CCOC(=O)c1c(C)oc2ccc(OC(=O)N3CCOCC3)cc12.
What is the InChIKey of (3-ethoxycarbonyl-2-methyl-1-benzofuran-5-yl) morpholine-4-carboxylate?
The InChIKey is WJRGVTTVNUBOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO6/c1-3-22-16(19)15-11(2)23-14-5-4-12(10-13(14)15)24-17(20)18-6-8-21-9-7-18/h4-5,10H,3,6-9H2,1-2H3.
What are the key properties of (3-ethoxycarbonyl-2-methyl-1-benzofuran-5-yl) morpholine-4-carboxylate?
(3-ethoxycarbonyl-2-methyl-1-benzofuran-5-yl) morpholine-4-carboxylate has a molecular weight of 333.34 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxycarbonyl-2-methyl-1-benzofuran-5-yl) morpholine-4-carboxylate is sourced from PubChem (CID 650536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).