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

C18H21NO6 — CID 708278

IUPAC(2-methyl-3-propan-2-yloxycarbonyl-1-benzofuran-5-yl) morpholine-4-carboxylate
SMILESCc1oc2ccc(OC(=O)N3CCOCC3)cc2c1C(=O)OC(C)C
InChIInChI=1S/C18H21NO6/c1-11(2)23-17(20)16-12(3)24-15-5-4-13(10-14(15)16)25-18(21)19-6-8-22-9-7-19/h4-5,10-11H,6-9H2,1-3H3
InChIKeyBRZMNSYUJASXJZ-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.14
Rot. Bonds3

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

(2-methyl-3-propan-2-yloxycarbonyl-1-benzofuran-5-yl) morpholine-4-carboxylate (PubChem CID 708278) has the molecular formula C18H21NO6 and a molecular weight of 347.37 g/mol. Its IUPAC name is (2-methyl-3-propan-2-yloxycarbonyl-1-benzofuran-5-yl) morpholine-4-carboxylate.

Molecular Properties

Compound Name(2-methyl-3-propan-2-yloxycarbonyl-1-benzofuran-5-yl) morpholine-4-carboxylate
PubChem CID708278
Molecular FormulaC18H21NO6
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC Name(2-methyl-3-propan-2-yloxycarbonyl-1-benzofuran-5-yl) morpholine-4-carboxylate
SMILESCc1oc2ccc(OC(=O)N3CCOCC3)cc2c1C(=O)OC(C)C
InChIInChI=1S/C18H21NO6/c1-11(2)23-17(20)16-12(3)24-15-5-4-13(10-14(15)16)25-18(21)19-6-8-22-9-7-19/h4-5,10-11H,6-9H2,1-3H3
InChIKeyBRZMNSYUJASXJZ-UHFFFAOYSA-N
XLogP3.14
TPSA78.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
3-(Methoxycarbonyl)-2-methylbenzofuran-5-yl morpholine-4-carboxylate
CID 662104
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
Ethyl 5-[(dimethylcarbamoyl)oxy]-2-phenyl-1-benzofuran-3-carboxylate
CID 667239

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-propan-2-yloxycarbonyl-1-benzofuran-5-yl) morpholine-4-carboxylate?
The IUPAC name of (2-methyl-3-propan-2-yloxycarbonyl-1-benzofuran-5-yl) morpholine-4-carboxylate (CID 708278) is (2-methyl-3-propan-2-yloxycarbonyl-1-benzofuran-5-yl) morpholine-4-carboxylate.
What is the SMILES notation for (2-methyl-3-propan-2-yloxycarbonyl-1-benzofuran-5-yl) morpholine-4-carboxylate?
The canonical SMILES for (2-methyl-3-propan-2-yloxycarbonyl-1-benzofuran-5-yl) morpholine-4-carboxylate is Cc1oc2ccc(OC(=O)N3CCOCC3)cc2c1C(=O)OC(C)C.
What is the InChIKey of (2-methyl-3-propan-2-yloxycarbonyl-1-benzofuran-5-yl) morpholine-4-carboxylate?
The InChIKey is BRZMNSYUJASXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO6/c1-11(2)23-17(20)16-12(3)24-15-5-4-13(10-14(15)16)25-18(21)19-6-8-22-9-7-19/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of (2-methyl-3-propan-2-yloxycarbonyl-1-benzofuran-5-yl) morpholine-4-carboxylate?
(2-methyl-3-propan-2-yloxycarbonyl-1-benzofuran-5-yl) morpholine-4-carboxylate has a molecular weight of 347.37 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-propan-2-yloxycarbonyl-1-benzofuran-5-yl) morpholine-4-carboxylate is sourced from PubChem (CID 708278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).