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

C16H17NO6 — CID 662104

IUPAC(3-methoxycarbonyl-2-methyl-1-benzofuran-5-yl) morpholine-4-carboxylate
SMILESCOC(=O)c1c(C)oc2ccc(OC(=O)N3CCOCC3)cc12
InChIInChI=1S/C16H17NO6/c1-10-14(15(18)20-2)12-9-11(3-4-13(12)22-10)23-16(19)17-5-7-21-8-6-17/h3-4,9H,5-8H2,1-2H3
InChIKeyQJWXTNAMSPUBJP-UHFFFAOYSA-N
MW319.31 g/mol
LogP2.36
Rot. Bonds2

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

(3-methoxycarbonyl-2-methyl-1-benzofuran-5-yl) morpholine-4-carboxylate (PubChem CID 662104) has the molecular formula C16H17NO6 and a molecular weight of 319.31 g/mol. Its IUPAC name is (3-methoxycarbonyl-2-methyl-1-benzofuran-5-yl) morpholine-4-carboxylate.

Molecular Properties

Compound Name(3-methoxycarbonyl-2-methyl-1-benzofuran-5-yl) morpholine-4-carboxylate
PubChem CID662104
Molecular FormulaC16H17NO6
Molecular Weight319.31 g/mol
Exact Mass319.11
IUPAC Name(3-methoxycarbonyl-2-methyl-1-benzofuran-5-yl) morpholine-4-carboxylate
SMILESCOC(=O)c1c(C)oc2ccc(OC(=O)N3CCOCC3)cc12
InChIInChI=1S/C16H17NO6/c1-10-14(15(18)20-2)12-9-11(3-4-13(12)22-10)23-16(19)17-5-7-21-8-6-17/h3-4,9H,5-8H2,1-2H3
InChIKeyQJWXTNAMSPUBJP-UHFFFAOYSA-N
XLogP2.36
TPSA78.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 52.36
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-(Ethoxycarbonyl)-2-methyl-1-benzofuran-5-yl morpholine-4-carboxylate
CID 650536
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-methoxycarbonyl-2-methyl-1-benzofuran-5-yl) morpholine-4-carboxylate?
The IUPAC name of (3-methoxycarbonyl-2-methyl-1-benzofuran-5-yl) morpholine-4-carboxylate (CID 662104) is (3-methoxycarbonyl-2-methyl-1-benzofuran-5-yl) morpholine-4-carboxylate.
What is the SMILES notation for (3-methoxycarbonyl-2-methyl-1-benzofuran-5-yl) morpholine-4-carboxylate?
The canonical SMILES for (3-methoxycarbonyl-2-methyl-1-benzofuran-5-yl) morpholine-4-carboxylate is COC(=O)c1c(C)oc2ccc(OC(=O)N3CCOCC3)cc12.
What is the InChIKey of (3-methoxycarbonyl-2-methyl-1-benzofuran-5-yl) morpholine-4-carboxylate?
The InChIKey is QJWXTNAMSPUBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO6/c1-10-14(15(18)20-2)12-9-11(3-4-13(12)22-10)23-16(19)17-5-7-21-8-6-17/h3-4,9H,5-8H2,1-2H3.
What are the key properties of (3-methoxycarbonyl-2-methyl-1-benzofuran-5-yl) morpholine-4-carboxylate?
(3-methoxycarbonyl-2-methyl-1-benzofuran-5-yl) morpholine-4-carboxylate has a molecular weight of 319.31 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxycarbonyl-2-methyl-1-benzofuran-5-yl) morpholine-4-carboxylate is sourced from PubChem (CID 662104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).